1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol

C16H16F3NO — CID 64754292

IUPAC1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2cnc3ccccc3c2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)12-5-7-15(21,8-6-12)13-9-11-3-1-2-4-14(11)20-10-13/h1-4,9-10,12,21H,5-8H2
InChIKeyGMEOUVDGJLJKMJ-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.17
Rot. Bonds1

About 1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol

1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64754292) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64754292
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2cnc3ccccc3c2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)12-5-7-15(21,8-6-12)13-9-11-3-1-2-4-14(11)20-10-13/h1-4,9-10,12,21H,5-8H2
InChIKeyGMEOUVDGJLJKMJ-UHFFFAOYSA-N
XLogP4.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol (CID 64754292) is 1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol is OC1(c2cnc3ccccc3c2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is GMEOUVDGJLJKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)12-5-7-15(21,8-6-12)13-9-11-3-1-2-4-14(11)20-10-13/h1-4,9-10,12,21H,5-8H2.
What are the key properties of 1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol?
1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 295.30 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64754292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).