4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one

C12H11F4NO — CID 168907350

IUPAC4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one
SMILESO=C1CCC(c2ncc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C12H11F4NO/c13-10-5-8(12(14,15)16)6-17-11(10)7-1-3-9(18)4-2-7/h5-7H,1-4H2
InChIKeyKKYBGBBXYNAOKQ-UHFFFAOYSA-N
MW261.22 g/mol
LogP3.47
Rot. Bonds1

About 4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one

4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one (PubChem CID 168907350) has the molecular formula C12H11F4NO and a molecular weight of 261.22 g/mol. Its IUPAC name is 4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one
PubChem CID168907350
Molecular FormulaC12H11F4NO
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC Name4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one
SMILESO=C1CCC(c2ncc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C12H11F4NO/c13-10-5-8(12(14,15)16)6-17-11(10)7-1-3-9(18)4-2-7/h5-7H,1-4H2
InChIKeyKKYBGBBXYNAOKQ-UHFFFAOYSA-N
XLogP3.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one?
The IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one (CID 168907350) is 4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one.
What is the SMILES notation for 4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one?
The canonical SMILES for 4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one is O=C1CCC(c2ncc(C(F)(F)F)cc2F)CC1.
What is the InChIKey of 4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one?
The InChIKey is KKYBGBBXYNAOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4NO/c13-10-5-8(12(14,15)16)6-17-11(10)7-1-3-9(18)4-2-7/h5-7H,1-4H2.
What are the key properties of 4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one?
4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one has a molecular weight of 261.22 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one is sourced from PubChem (CID 168907350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).