1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol

C13H18FNO — CID 104737601

IUPAC1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(c2ccncc2F)C(C)C1
InChIInChI=1S/C13H18FNO/c1-9-3-5-13(16,10(2)7-9)11-4-6-15-8-12(11)14/h4,6,8-10,16H,3,5,7H2,1-2H3
InChIKeyJZGQUFCTGRZNKA-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.86
Rot. Bonds1

About 1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol

1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol (PubChem CID 104737601) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol
PubChem CID104737601
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(c2ccncc2F)C(C)C1
InChIInChI=1S/C13H18FNO/c1-9-3-5-13(16,10(2)7-9)11-4-6-15-8-12(11)14/h4,6,8-10,16H,3,5,7H2,1-2H3
InChIKeyJZGQUFCTGRZNKA-UHFFFAOYSA-N
XLogP2.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol (CID 104737601) is 1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol is CC1CCC(O)(c2ccncc2F)C(C)C1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol?
The InChIKey is JZGQUFCTGRZNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-3-5-13(16,10(2)7-9)11-4-6-15-8-12(11)14/h4,6,8-10,16H,3,5,7H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol?
1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 104737601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).