1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol

C14H16F3NO — CID 117121432

IUPAC1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol
SMILESCCn1c(CC(C)O)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H16F3NO/c1-3-18-12(6-9(2)19)8-10-7-11(14(15,16)17)4-5-13(10)18/h4-5,7-9,19H,3,6H2,1-2H3
InChIKeyOQWWOZMUNSESMR-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.60
Rot. Bonds3

About 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol

1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol (PubChem CID 117121432) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol
PubChem CID117121432
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol
SMILESCCn1c(CC(C)O)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H16F3NO/c1-3-18-12(6-9(2)19)8-10-7-11(14(15,16)17)4-5-13(10)18/h4-5,7-9,19H,3,6H2,1-2H3
InChIKeyOQWWOZMUNSESMR-UHFFFAOYSA-N
XLogP3.60
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
CID 117121456
1-(5-chloro-1-ethylindol-2-yl)propan-2-ol
CID 117121551
[1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol
CID 117122614
2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
CID 117121445
methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate
CID 115072109
1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 59177162
1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 46308238
1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone
CID 11161872
1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117196538
1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol
CID 46310827
2-[1-methyl-5-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117121468
1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone
CID 117121465

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol?
The IUPAC name of 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol (CID 117121432) is 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol is CCn1c(CC(C)O)cc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol?
The InChIKey is OQWWOZMUNSESMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-3-18-12(6-9(2)19)8-10-7-11(14(15,16)17)4-5-13(10)18/h4-5,7-9,19H,3,6H2,1-2H3.
What are the key properties of 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol?
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol has a molecular weight of 271.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol is sourced from PubChem (CID 117121432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).