1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one

C10H9ClF3NO — CID 105123407

IUPAC1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)c1ccncc1Cl
InChIInChI=1S/C10H9ClF3NO/c11-8-6-15-5-3-7(8)9(16)2-1-4-10(12,13)14/h3,5-6H,1-2,4H2
InChIKeyYNWDVEPOOPVJFV-UHFFFAOYSA-N
MW251.63 g/mol
LogP3.65
Rot. Bonds4

About 1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one

1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one (PubChem CID 105123407) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one
PubChem CID105123407
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC Name1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)c1ccncc1Cl
InChIInChI=1S/C10H9ClF3NO/c11-8-6-15-5-3-7(8)9(16)2-1-4-10(12,13)14/h3,5-6H,1-2,4H2
InChIKeyYNWDVEPOOPVJFV-UHFFFAOYSA-N
XLogP3.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-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

Related Compounds

1-(3-chloro-4-pyridinyl)oct-7-en-1-one
CID 107011107
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one
CID 114983965
1-(3-chloro-4-pyridinyl)-2-phenylethanone
CID 105077956
1-(3-bromo-2-chlorophenyl)-5,5,5-trifluoropentan-1-one
CID 115792374
2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethanone
CID 105089516
methyl 3-chloropyridine-4-carboxylate
CID 15324397
5,5,5-trifluoro-1-(2,3,4-trifluorophenyl)pentan-1-one
CID 115792229
(3S)-1-(3-chloro-4-pyridinyl)-3-methylpentan-1-one
CID 97134527
1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone
CID 105117184
5-(4-chloro-3-pyridinyl)-5-oxopentanenitrile
CID 53427101
1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126307
1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123580

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one (CID 105123407) is 1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one is O=C(CCCC(F)(F)F)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one?
The InChIKey is YNWDVEPOOPVJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c11-8-6-15-5-3-7(8)9(16)2-1-4-10(12,13)14/h3,5-6H,1-2,4H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one?
1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one has a molecular weight of 251.63 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 105123407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).