3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol

C13H14F3NO — CID 84636463

IUPAC3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol
SMILESCc1ccc2[nH]c(C(F)(F)F)c(CCCO)c2c1
InChIInChI=1S/C13H14F3NO/c1-8-4-5-11-10(7-8)9(3-2-6-18)12(17-11)13(14,15)16/h4-5,7,17-18H,2-3,6H2,1H3
InChIKeyQKWJRNRKLUASCD-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.42
Rot. Bonds3

About 3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol

3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol (PubChem CID 84636463) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol
PubChem CID84636463
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol
SMILESCc1ccc2[nH]c(C(F)(F)F)c(CCCO)c2c1
InChIInChI=1S/C13H14F3NO/c1-8-4-5-11-10(7-8)9(3-2-6-18)12(17-11)13(14,15)16/h4-5,7,17-18H,2-3,6H2,1H3
InChIKeyQKWJRNRKLUASCD-UHFFFAOYSA-N
XLogP3.42
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 84639252
2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 84637571
3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol
CID 170857441
3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol
CID 84638462
2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 125457020
2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 84632127
3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
CID 84630189
4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3998178
methyl 4-[2-(trifluoromethyl)-1H-indol-3-yl]butanoate
CID 101463365
3-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]propanenitrile
CID 84640649
3,6-dimethyl-9H-carbazole
CID 144942624
[5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
CID 84643873

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol?
The IUPAC name of 3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol (CID 84636463) is 3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol is Cc1ccc2[nH]c(C(F)(F)F)c(CCCO)c2c1.
What is the InChIKey of 3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol?
The InChIKey is QKWJRNRKLUASCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-8-4-5-11-10(7-8)9(3-2-6-18)12(17-11)13(14,15)16/h4-5,7,17-18H,2-3,6H2,1H3.
What are the key properties of 3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol?
3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol has a molecular weight of 257.25 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol is sourced from PubChem (CID 84636463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).