1-[3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol

C17H20F3NO — CID 24794050

IUPAC1-[3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol
SMILESCCc1c(C2(O)CCCCC2)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C17H20F3NO/c1-2-12-13-10-11(17(18,19)20)6-7-14(13)21-15(12)16(22)8-4-3-5-9-16/h6-7,10,21-22H,2-5,8-9H2,1H3
InChIKeyCQRWZLUKOOUZNU-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.90
Rot. Bonds2

About 1-[3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol

1-[3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol (PubChem CID 24794050) has the molecular formula C17H20F3NO and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-[3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol
PubChem CID24794050
Molecular FormulaC17H20F3NO
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name1-[3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol
SMILESCCc1c(C2(O)CCCCC2)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C17H20F3NO/c1-2-12-13-10-11(17(18,19)20)6-7-14(13)21-15(12)16(22)8-4-3-5-9-16/h6-7,10,21-22H,2-5,8-9H2,1H3
InChIKeyCQRWZLUKOOUZNU-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

3-Methyl-9H-carbazol-1-ol
CID 607542
(1H-indol-2-yl)methanol
CID 98783
2-[6-(1-Hydroxycyclohexyl)pyridin-2-Yl]-1h-Indole-5-Carboximidamide
CID 121232387
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
2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol
CID 10378448
1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol
CID 24748959
2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-indol-2-yl)propan-2-ol
CID 24748960
2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile
CID 24792662
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol (CID 24794050) is 1-[3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol is CCc1c(C2(O)CCCCC2)[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 1-[3-ethyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol?
The InChIKey is CQRWZLUKOOUZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO/c1-2-12-13-10-11(17(18,19)20)6-7-14(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-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol?
1-[3-ethyl-5-(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-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 24794050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).