[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol

C17H14F3NO — CID 16738801

IUPAC[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol
SMILESOCc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C17H14F3NO/c18-17(19,20)14-5-3-4-12(8-14)9-21-10-13(11-22)15-6-1-2-7-16(15)21/h1-8,10,22H,9,11H2
InChIKeyRTMZRUNHLPXWPD-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.20
Rot. Bonds3

About [1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol

[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol (PubChem CID 16738801) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is [1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol
PubChem CID16738801
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol
SMILESOCc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C17H14F3NO/c18-17(19,20)14-5-3-4-12(8-14)9-21-10-13(11-22)15-6-1-2-7-16(15)21/h1-8,10,22H,9,11H2
InChIKeyRTMZRUNHLPXWPD-UHFFFAOYSA-N
XLogP4.20
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol?
The IUPAC name of [1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol (CID 16738801) is [1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol?
The canonical SMILES for [1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol is OCc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12.
What is the InChIKey of [1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol?
The InChIKey is RTMZRUNHLPXWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c18-17(19,20)14-5-3-4-12(8-14)9-21-10-13(11-22)15-6-1-2-7-16(15)21/h1-8,10,22H,9,11H2.
What are the key properties of [1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol?
[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol has a molecular weight of 305.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol is sourced from PubChem (CID 16738801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).