1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol

C20H19F4NO — CID 143024591

IUPAC1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol
SMILESCC(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C20H19F4NO/c1-13(16-7-3-4-8-17(16)21)11-19(26,20(22,23)24)12-15-10-14-6-2-5-9-18(14)25-15/h2-10,13,25-26H,11-12H2,1H3
InChIKeyUAJRNQGGNSIXIC-UHFFFAOYSA-N
MW365.37 g/mol
LogP5.34
Rot. Bonds5

About 1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol

1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol (PubChem CID 143024591) has the molecular formula C20H19F4NO and a molecular weight of 365.37 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol
PubChem CID143024591
Molecular FormulaC20H19F4NO
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC Name1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol
SMILESCC(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C20H19F4NO/c1-13(16-7-3-4-8-17(16)21)11-19(26,20(22,23)24)12-15-10-14-6-2-5-9-18(14)25-15/h2-10,13,25-26H,11-12H2,1H3
InChIKeyUAJRNQGGNSIXIC-UHFFFAOYSA-N
XLogP5.34
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.37
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(1H-indol-2-yl)propan-2-ol
CID 10172630
1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol
CID 10237128
1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol
CID 68753185
2-(4-fluoropentyl)-1H-indole
CID 170987599
2-(2,3,3-trimethylbutyl)-1H-indole
CID 23522829
2-(4-methylpentyl)-1H-indole
CID 18761636
2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
2-(2-fluoroethyl)-1H-indole
CID 142633825
4-(1H-indol-2-yl)butylboronic acid
CID 67682562
(2S)-1-(1H-indol-2-yl)butan-2-ol;(2R)-3-(1H-indol-2-yl)propane-1,2-diol
CID 159659832

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol (CID 143024591) is 1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol is CC(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1ccccc1F.
What is the InChIKey of 1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol?
The InChIKey is UAJRNQGGNSIXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4NO/c1-13(16-7-3-4-8-17(16)21)11-19(26,20(22,23)24)12-15-10-14-6-2-5-9-18(14)25-15/h2-10,13,25-26H,11-12H2,1H3.
What are the key properties of 1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol?
1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol has a molecular weight of 365.37 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol is sourced from PubChem (CID 143024591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).