1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol

C17H20F3NO — CID 24793994

IUPAC1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol
SMILESCCc1c(C2(O)CCCCC2)[nH]c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H20F3NO/c1-2-12-13-7-6-11(17(18,19)20)10-14(13)21-15(12)16(22)8-4-3-5-9-16/h6-7,10,21-22H,2-5,8-9H2,1H3
InChIKeyPYKREWQERWJQFD-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.90
Rot. Bonds2

About 1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol

1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol (PubChem CID 24793994) has the molecular formula C17H20F3NO and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol
PubChem CID24793994
Molecular FormulaC17H20F3NO
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol
SMILESCCc1c(C2(O)CCCCC2)[nH]c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H20F3NO/c1-2-12-13-7-6-11(17(18,19)20)10-14(13)21-15(12)16(22)8-4-3-5-9-16/h6-7,10,21-22H,2-5,8-9H2,1H3
InChIKeyPYKREWQERWJQFD-UHFFFAOYSA-N
XLogP4.90
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide
CID 53361011
(1H-indol-2-yl)methanol
CID 98783
5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-phenyl-1H-indole-2-carbonitrile
CID 21318138
1-Hydroxy-1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carbonitrile
CID 52943808
1-(2-methyl-1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 659336
2-(3-methyl-6-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24792664
2-(3-methyl-5-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24818822
2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
CID 24818824
(1S)-1-[6-fluoranyl-2-[(1S)-1-oxidanylethyl]-1H-indol-3-yl]ethanol
CID 24818826
2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol
CID 24820076
1-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol
CID 25058299
5-amino-3-[benzimidazol-2-ylidene-(4-methylphenyl)methyl]-1H-indol-2-ol
CID 136118735

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol (CID 24793994) is 1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol is CCc1c(C2(O)CCCCC2)[nH]c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol?
The InChIKey is PYKREWQERWJQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO/c1-2-12-13-7-6-11(17(18,19)20)10-14(13)21-15(12)16(22)8-4-3-5-9-16/h6-7,10,21-22H,2-5,8-9H2,1H3.
What are the key properties of 1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol?
1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol has a molecular weight of 311.35 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 24793994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).