1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol

C12H13F4NO — CID 64757432

IUPAC1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2cncc(F)c2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H13F4NO/c13-10-4-9(6-17-7-10)11(18)3-1-2-8(5-11)12(14,15)16/h4,6-8,18H,1-3,5H2
InChIKeyORLKLVAHTZQBSQ-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.16
Rot. Bonds1

About 1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64757432) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64757432
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2cncc(F)c2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H13F4NO/c13-10-4-9(6-17-7-10)11(18)3-1-2-8(5-11)12(14,15)16/h4,6-8,18H,1-3,5H2
InChIKeyORLKLVAHTZQBSQ-UHFFFAOYSA-N
XLogP3.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 64757432) is 1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol is OC1(c2cncc(F)c2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is ORLKLVAHTZQBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c13-10-4-9(6-17-7-10)11(18)3-1-2-8(5-11)12(14,15)16/h4,6-8,18H,1-3,5H2.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 263.23 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64757432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).