1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol

C15H10F3NO — CID 81444552

IUPAC1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)c(F)c1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H10F3NO/c16-11-6-10(7-12(17)14(11)18)15(20)9-1-2-13-8(5-9)3-4-19-13/h1-7,15,19-20H
InChIKeyZIMRCSJFBMGZRZ-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.67
Rot. Bonds2

About 1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol

1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol (PubChem CID 81444552) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol
PubChem CID81444552
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)c(F)c1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H10F3NO/c16-11-6-10(7-12(17)14(11)18)15(20)9-1-2-13-8(5-9)3-4-19-13/h1-7,15,19-20H
InChIKeyZIMRCSJFBMGZRZ-UHFFFAOYSA-N
XLogP3.67
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl)-(1H-indol-5-yl)methanol
CID 81444818
(3-fluoro-4-methylphenyl)-(1H-indol-5-yl)methanol
CID 81444351
(3-fluoro-4-methoxyphenyl)-(1H-indol-5-yl)methanol
CID 81444916
1H-indol-5-yl(phenyl)methanol
CID 19042833
4-[hydroxy(1H-indol-5-yl)methyl]benzonitrile
CID 115480990
(4-fluoro-2-methylphenyl)-(1H-indol-5-yl)methanol
CID 81445082
2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol
CID 81437183
1H-indol-5-yl-(3-methoxyphenyl)methanol
CID 81444817
(1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol
CID 96590440
(3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol
CID 81444992
(3-cyclopropylphenyl)-(1H-indol-5-yl)methanol
CID 81437598
(7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol
CID 81437182

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol?
The IUPAC name of 1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol (CID 81444552) is 1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for 1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol?
The canonical SMILES for 1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol is OC(c1cc(F)c(F)c(F)c1)c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol?
The InChIKey is ZIMRCSJFBMGZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-11-6-10(7-12(17)14(11)18)15(20)9-1-2-13-8(5-9)3-4-19-13/h1-7,15,19-20H.
What are the key properties of 1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol?
1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol has a molecular weight of 277.25 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 81444552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).