1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol

C16H16F3NO — CID 81197260

IUPAC1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2ccc3cccnc3c2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)13-4-1-7-15(21,10-13)12-6-5-11-3-2-8-20-14(11)9-12/h2-3,5-6,8-9,13,21H,1,4,7,10H2
InChIKeyZWENRJZGJGUZRW-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.17
Rot. Bonds1

About 1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol

1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 81197260) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID81197260
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2ccc3cccnc3c2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)13-4-1-7-15(21,10-13)12-6-5-11-3-2-8-20-14(11)9-12/h2-3,5-6,8-9,13,21H,1,4,7,10H2
InChIKeyZWENRJZGJGUZRW-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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Related Compounds

3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol
CID 107450011
3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171956078
1-(3-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759467
4,4-dimethyl-1-quinolin-7-ylcyclohexan-1-ol
CID 81216208
1-(4-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757037
3-quinolin-7-ylpiperidin-3-ol
CID 81216263
1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757432
3-quinolin-7-yloxolan-3-ol
CID 81216118
4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol
CID 81196652
3-ethyl-1-quinolin-7-ylcyclohexan-1-amine
CID 81216165
1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759665
1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114723916

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol (CID 81197260) is 1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol is OC1(c2ccc3cccnc3c2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is ZWENRJZGJGUZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)13-4-1-7-15(21,10-13)12-6-5-11-3-2-8-20-14(11)9-12/h2-3,5-6,8-9,13,21H,1,4,7,10H2.
What are the key properties of 1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol?
1-quinolin-7-yl-3-(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-7-yl-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 81197260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).