1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol

C14H16F3NO — CID 117196585

IUPAC1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol
SMILESCC(O)c1cc2cccc(C(F)(F)F)c2n1C(C)C
InChIInChI=1S/C14H16F3NO/c1-8(2)18-12(9(3)19)7-10-5-4-6-11(13(10)18)14(15,16)17/h4-9,19H,1-3H3
InChIKeyFMGMZOXESFNGDU-UHFFFAOYSA-N
MW271.28 g/mol
LogP4.29
Rot. Bonds2

About 1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol

1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol (PubChem CID 117196585) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol
PubChem CID117196585
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol
SMILESCC(O)c1cc2cccc(C(F)(F)F)c2n1C(C)C
InChIInChI=1S/C14H16F3NO/c1-8(2)18-12(9(3)19)7-10-5-4-6-11(13(10)18)14(15,16)17/h4-9,19H,1-3H3
InChIKeyFMGMZOXESFNGDU-UHFFFAOYSA-N
XLogP4.29
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196621
2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196564
N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117196610
1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117196538
2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197186
1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine
CID 83860159
2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196565
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 125493987
[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol
CID 117120272
2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid
CID 117184356
1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine
CID 117196602
4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol
CID 115047503

Frequently Asked Questions

What is the IUPAC name of 1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol?
The IUPAC name of 1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol (CID 117196585) is 1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol.
What is the SMILES notation for 1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol?
The canonical SMILES for 1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol is CC(O)c1cc2cccc(C(F)(F)F)c2n1C(C)C.
What is the InChIKey of 1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol?
The InChIKey is FMGMZOXESFNGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-8(2)18-12(9(3)19)7-10-5-4-6-11(13(10)18)14(15,16)17/h4-9,19H,1-3H3.
What are the key properties of 1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol?
1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol has a molecular weight of 271.28 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol is sourced from PubChem (CID 117196585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).