2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone

C14H9F4NO — CID 102707552

IUPAC2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESO=C(Cc1cccc(F)c1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H9F4NO/c15-10-3-1-2-9(6-10)7-13(20)11-8-19-5-4-12(11)14(16,17)18/h1-6,8H,7H2
InChIKeyNKVHOYUANBTNHB-UHFFFAOYSA-N
MW283.22 g/mol
LogP3.66
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone

2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 102707552) has the molecular formula C14H9F4NO and a molecular weight of 283.22 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID102707552
Molecular FormulaC14H9F4NO
Molecular Weight283.22 g/mol
Exact Mass283.06
IUPAC Name2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESO=C(Cc1cccc(F)c1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H9F4NO/c15-10-3-1-2-9(6-10)7-13(20)11-8-19-5-4-12(11)14(16,17)18/h1-6,8H,7H2
InChIKeyNKVHOYUANBTNHB-UHFFFAOYSA-N
XLogP3.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707559
2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707574
2-(3-fluorophenyl)-1-pyridin-3-ylethanone
CID 60797988
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102709606
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709433
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707666
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
2-(3-fluorophenyl)-1-quinolin-4-ylethanone
CID 105080568
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 61078244

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone (CID 102707552) is 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone is O=C(Cc1cccc(F)c1)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is NKVHOYUANBTNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO/c15-10-3-1-2-9(6-10)7-13(20)11-8-19-5-4-12(11)14(16,17)18/h1-6,8H,7H2.
What are the key properties of 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 283.22 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 102707552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).