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2C-TFM-NBOMe

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2C-TFM-NBOMe
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	1027161-33-6^Y
ATC kod	None
PubChem	CID10067667
ChemSpider	8243207^Y
Hemijski podaci
Formula	C₁₉H₂₂F₃NO₃
Molarna masa	369,378
SMILES COc1ccccc1CNCCc2cc(OC)c(cc2OC)C(F)(F)F
InChI InChI=1S/C19H22F3NO3/c1-24-16-7-5-4-6-14(16)12-23-9-8-13-10-18(26-3)15(19(20,21)22)11-17(13)25-2/h4-7,10-11,23H,8-9,12H2,1-3H3^Y Key:FBHVTQIAHOTPAM-UHFFFAOYSA-N^Y

2C-TFM-NBOMe jeorgansko jedinjenje, koje sadrži 19atoma ugljenika i imamolekulsku masu od 369,378Da.

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	9
Particioni koeficijent^[1] (ALogP)	4,2
Rastvorljivost^[2] (logS, log(mol/L))	-6,0
Polarna površina^[3] (PSA,Å²)	39,7

^Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods”.The Journal of Physical Chemistry A.102 (21): 3762—3772.Bibcode:1998JPCA..102.3762G.doi:10.1021/jp980230o.
^Tetko, Igor V.; Tanchuk, Vsevolod Yu.; Kasheva, Tamara N.; Villa, Alessandro E. P. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”.Journal of Chemical Information and Computer Sciences.41 (6): 1488—1493.PMID 11749573.doi:10.1021/ci000392t.
^Ertl, Peter; Rohde, Bernhard; Selzer, Paul (2000). „Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties”.Journal of Medicinal Chemistry.43 (20): 3714—3717.PMID 11020286.doi:10.1021/jm000942e.