1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol

C13H16F3NO — CID 146397118

IUPAC1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol
SMILESOC(c1ccccn1)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12(18,10-6-2-1-3-7-10)11-8-4-5-9-17-11/h4-5,8-10,18H,1-3,6-7H2
InChIKeyCVAMOVBHVKHCGZ-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.41
Rot. Bonds2

About 1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol

1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol (PubChem CID 146397118) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol
PubChem CID146397118
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol
SMILESOC(c1ccccn1)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12(18,10-6-2-1-3-7-10)11-8-4-5-9-17-11/h4-5,8-10,18H,1-3,6-7H2
InChIKeyCVAMOVBHVKHCGZ-UHFFFAOYSA-N
XLogP3.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol?
The IUPAC name of 1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol (CID 146397118) is 1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol.
What is the SMILES notation for 1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol?
The canonical SMILES for 1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol is OC(c1ccccn1)(C1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol?
The InChIKey is CVAMOVBHVKHCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)12(18,10-6-2-1-3-7-10)11-8-4-5-9-17-11/h4-5,8-10,18H,1-3,6-7H2.
What are the key properties of 1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol?
1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol has a molecular weight of 259.27 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol is sourced from PubChem (CID 146397118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).