1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one

C9H8F3NO — CID 115009240

IUPAC1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cnccc1C(F)(F)F
InChIInChI=1S/C9H8F3NO/c1-6(14)4-7-5-13-3-2-8(7)9(10,11)12/h2-3,5H,4H2,1H3
InChIKeyBYFPNTWABLZWLF-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.23
Rot. Bonds2

About 1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one

1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one (PubChem CID 115009240) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
PubChem CID115009240
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cnccc1C(F)(F)F
InChIInChI=1S/C9H8F3NO/c1-6(14)4-7-5-13-3-2-8(7)9(10,11)12/h2-3,5H,4H2,1H3
InChIKeyBYFPNTWABLZWLF-UHFFFAOYSA-N
XLogP2.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethyl-3-pyridinyl)propan-2-one
CID 83826723
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102708860
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 166241496
3-heptyl-4-(trifluoromethyl)pyridine
CID 130384281
3-(3-chloropropyl)-4-(trifluoromethyl)pyridine
CID 102708951
2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
CID 115008846
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 138004783
2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707574
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
3,3-difluoro-3-[4-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 162738026

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The IUPAC name of 1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one (CID 115009240) is 1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The canonical SMILES for 1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one is CC(=O)Cc1cnccc1C(F)(F)F.
What is the InChIKey of 1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The InChIKey is BYFPNTWABLZWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-6(14)4-7-5-13-3-2-8(7)9(10,11)12/h2-3,5H,4H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one?
1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one has a molecular weight of 203.16 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one is sourced from PubChem (CID 115009240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).