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

C13H14F3NO — CID 117120272

IUPAC[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol
SMILESCC(C)n1c(CO)cc2c(C(F)(F)F)cccc21
InChIInChI=1S/C13H14F3NO/c1-8(2)17-9(7-18)6-10-11(13(14,15)16)4-3-5-12(10)17/h3-6,8,18H,7H2,1-2H3
InChIKeyYIJDUCUUJDYCLS-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.73
Rot. Bonds2

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

[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol (PubChem CID 117120272) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is [1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol
PubChem CID117120272
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol
SMILESCC(C)n1c(CO)cc2c(C(F)(F)F)cccc21
InChIInChI=1S/C13H14F3NO/c1-8(2)17-9(7-18)6-10-11(13(14,15)16)4-3-5-12(10)17/h3-6,8,18H,7H2,1-2H3
InChIKeyYIJDUCUUJDYCLS-UHFFFAOYSA-N
XLogP3.73
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde
CID 117194285
3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117120307
2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117120348
2,2-dimethyl-3-[1-methyl-4-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117194282
1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol
CID 117174039
1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine
CID 117173709
1-propan-2-yl-2-(sulfanylmethyl)indole-4-carboxylic acid
CID 117174139
methyl 1-methyl-4-(trifluoromethyl)indole-2-carboxylate
CID 15550269
3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196621
3-(4-chloro-1-propan-2-ylindol-2-yl)-2,2-dimethylpropanoic acid
CID 117194534
1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol
CID 3959776
2-amino-2-[1-methyl-4-(trifluoromethyl)indol-2-yl]acetic acid
CID 115071811

Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol?
The IUPAC name of [1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol (CID 117120272) is [1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol.
What is the SMILES notation for [1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol?
The canonical SMILES for [1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol is CC(C)n1c(CO)cc2c(C(F)(F)F)cccc21.
What is the InChIKey of [1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol?
The InChIKey is YIJDUCUUJDYCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-8(2)17-9(7-18)6-10-11(13(14,15)16)4-3-5-12(10)17/h3-6,8,18H,7H2,1-2H3.
What are the key properties of [1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol?
[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol has a molecular weight of 257.25 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol is sourced from PubChem (CID 117120272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).