2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one

C14H10F3NO — CID 66447774

IUPAC2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one
SMILESCC(C(=O)c1cc(F)c(F)c(F)c1)c1ccccn1
InChIInChI=1S/C14H10F3NO/c1-8(12-4-2-3-5-18-12)14(19)9-6-10(15)13(17)11(16)7-9/h2-8H,1H3
InChIKeyAICMXQGSCFNTPW-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.49
Rot. Bonds3

About 2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one

2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one (PubChem CID 66447774) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one
PubChem CID66447774
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one
SMILESCC(C(=O)c1cc(F)c(F)c(F)c1)c1ccccn1
InChIInChI=1S/C14H10F3NO/c1-8(12-4-2-3-5-18-12)14(19)9-6-10(15)13(17)11(16)7-9/h2-8H,1H3
InChIKeyAICMXQGSCFNTPW-UHFFFAOYSA-N
XLogP3.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one
CID 114821425
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one
CID 66446406
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one
CID 66446209
lithium 2-pyridin-2-ylpropanoate
CID 175058549
1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one
CID 66446206
3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 60862531
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448751
1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448162
1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448942
1-(3-methylfuran-2-yl)-2-pyridin-2-ylpropan-1-one
CID 66448939

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one?
The IUPAC name of 2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one (CID 66447774) is 2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one.
What is the SMILES notation for 2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one?
The canonical SMILES for 2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one is CC(C(=O)c1cc(F)c(F)c(F)c1)c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one?
The InChIKey is AICMXQGSCFNTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c1-8(12-4-2-3-5-18-12)14(19)9-6-10(15)13(17)11(16)7-9/h2-8H,1H3.
What are the key properties of 2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one?
2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one has a molecular weight of 265.23 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one is sourced from PubChem (CID 66447774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).