4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one

C16H14F3NO — CID 105086241

IUPAC4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one
SMILESO=C(CCc1cccnc1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)14-5-1-3-13(9-14)10-15(21)7-6-12-4-2-8-20-11-12/h1-5,8-9,11H,6-7,10H2
InChIKeySBZJHTPJGRNEPH-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.84
Rot. Bonds5

About 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one

4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one (PubChem CID 105086241) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one.

Molecular Properties

Compound Name4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one
PubChem CID105086241
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one
SMILESO=C(CCc1cccnc1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)14-5-1-3-13(9-14)10-15(21)7-6-12-4-2-8-20-11-12/h1-5,8-9,11H,6-7,10H2
InChIKeySBZJHTPJGRNEPH-UHFFFAOYSA-N
XLogP3.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide
CID 148600799
1-[4-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfonyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147728755
1-[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]-4-pyridin-3-ylbutan-2-one
CID 158449479
1-(3-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one
CID 105083823
1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one
CID 103042840
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one
CID 116603391
1,1,1-trifluoro-4-pyridin-3-ylbutan-2-one
CID 129453005
1-[4-[2-(4-tert-butylphenyl)acetyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 159913920
methyl 4-oxo-5-[3-(trifluoromethyl)phenyl]pentanoate
CID 63900904
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one?
The IUPAC name of 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one (CID 105086241) is 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one.
What is the SMILES notation for 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one?
The canonical SMILES for 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one is O=C(CCc1cccnc1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one?
The InChIKey is SBZJHTPJGRNEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)14-5-1-3-13(9-14)10-15(21)7-6-12-4-2-8-20-11-12/h1-5,8-9,11H,6-7,10H2.
What are the key properties of 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one?
4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one has a molecular weight of 293.29 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one is sourced from PubChem (CID 105086241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).