1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol

C16H12F3NO — CID 115351825

IUPAC1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccccc1C(F)(F)F)c1cccc2[nH]ccc12
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-6-2-1-4-12(13)15(21)11-5-3-7-14-10(11)8-9-20-14/h1-9,15,20-21H
InChIKeyRLLFILLJBSKUBK-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.27
Rot. Bonds2

About 1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol

1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 115351825) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol
PubChem CID115351825
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccccc1C(F)(F)F)c1cccc2[nH]ccc12
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-6-2-1-4-12(13)15(21)11-5-3-7-14-10(11)8-9-20-14/h1-9,15,20-21H
InChIKeyRLLFILLJBSKUBK-UHFFFAOYSA-N
XLogP4.27
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluorophenyl)-(1H-indol-4-yl)methanol
CID 113292217
(2,3-dichlorophenyl)-(1H-indol-4-yl)methanol
CID 115351822
(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol
CID 171262562
(4-chloro-2-fluorophenyl)-(1H-indol-4-yl)methanol
CID 114852920
(2,6-dichlorophenyl)-(1H-indol-4-yl)methanol
CID 115351810
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(3,5-dimethylphenyl)-(1H-indol-4-yl)methanol
CID 115351861
1H-indol-4-yl-(3-methylfuran-2-yl)methanol
CID 113489056
(2-chloro-6-fluorophenyl)-(1H-indol-4-yl)methanol
CID 115351816
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131385428
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of 1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol (CID 115351825) is 1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for 1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for 1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol is OC(c1ccccc1C(F)(F)F)c1cccc2[nH]ccc12.
What is the InChIKey of 1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is RLLFILLJBSKUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)13-6-2-1-4-12(13)15(21)11-5-3-7-14-10(11)8-9-20-14/h1-9,15,20-21H.
What are the key properties of 1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol?
1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 291.27 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 115351825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).