1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one

C15H11F4NO — CID 91262595

IUPAC1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)Cc1cccc(F)c1
InChIInChI=1S/C15H11F4NO/c16-12-3-1-2-10(6-12)7-13(21)8-11-4-5-14(20-9-11)15(17,18)19/h1-6,9H,7-8H2
InChIKeyNGQPLXOSMYEMRM-UHFFFAOYSA-N
MW297.25 g/mol
LogP3.59
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one

1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one (PubChem CID 91262595) has the molecular formula C15H11F4NO and a molecular weight of 297.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
PubChem CID91262595
Molecular FormulaC15H11F4NO
Molecular Weight297.25 g/mol
Exact Mass297.08
IUPAC Name1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)Cc1cccc(F)c1
InChIInChI=1S/C15H11F4NO/c16-12-3-1-2-10(6-12)7-13(21)8-11-4-5-14(20-9-11)15(17,18)19/h1-6,9H,7-8H2
InChIKeyNGQPLXOSMYEMRM-UHFFFAOYSA-N
XLogP3.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-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-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
1-(4-tert-butylphenyl)-3-(3-fluorophenyl)propan-2-one
CID 63409516
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
17-oxo-18-[6-(trifluoromethyl)-3-pyridinyl]octadecanoic acid
CID 158712353
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 90750228
1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 61219534
6,6,6-trifluoro-1-(3-fluorophenyl)hexan-2-one
CID 115515783
1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 62621730
1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one
CID 116595869
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The IUPAC name of 1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one (CID 91262595) is 1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one is O=C(Cc1ccc(C(F)(F)F)nc1)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The InChIKey is NGQPLXOSMYEMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO/c16-12-3-1-2-10(6-12)7-13(21)8-11-4-5-14(20-9-11)15(17,18)19/h1-6,9H,7-8H2.
What are the key properties of 1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one?
1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one has a molecular weight of 297.25 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one is sourced from PubChem (CID 91262595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).