2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one

C12H10F3N3O — CID 70350915

IUPAC2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(C(=O)c1ccc(C(F)(F)F)cc1)n1ccnn1
InChIInChI=1S/C12H10F3N3O/c1-8(18-7-6-16-17-18)11(19)9-2-4-10(5-3-9)12(13,14)15/h2-8H,1H3
InChIKeyUZVASBKOZJAIFC-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.74
Rot. Bonds3

About 2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one

2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 70350915) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID70350915
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(C(=O)c1ccc(C(F)(F)F)cc1)n1ccnn1
InChIInChI=1S/C12H10F3N3O/c1-8(18-7-6-16-17-18)11(19)9-2-4-10(5-3-9)12(13,14)15/h2-8H,1H3
InChIKeyUZVASBKOZJAIFC-UHFFFAOYSA-N
XLogP2.74
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 10082090
2-methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 53430718
2-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 114970666
ethyl 2-methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate
CID 129319443
2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
CID 91801769
2-bromo-2-chloro-1-[4-(trifluoromethyl)phenyl]ethanone
CID 155932133
ethyl (3S)-3-methyl-2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate
CID 98044853
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
CID 141127548
N-[(2S)-1-aminopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 120506253
methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 59786000
(E)-3-amino-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-one
CID 59777631
2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 116558577

Frequently Asked Questions

What is the IUPAC name of 2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one (CID 70350915) is 2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one is CC(C(=O)c1ccc(C(F)(F)F)cc1)n1ccnn1.
What is the InChIKey of 2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is UZVASBKOZJAIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-8(18-7-6-16-17-18)11(19)9-2-4-10(5-3-9)12(13,14)15/h2-8H,1H3.
What are the key properties of 2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one?
2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 269.23 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 70350915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).