2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone

C14H7F5O — CID 62964616

IUPAC2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H7F5O/c15-8-3-7(4-9(16)6-8)5-12(20)10-1-2-11(17)14(19)13(10)18/h1-4,6H,5H2
InChIKeyYVAQADNSYNWGOG-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.81
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone

2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone (PubChem CID 62964616) has the molecular formula C14H7F5O and a molecular weight of 286.20 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
PubChem CID62964616
Molecular FormulaC14H7F5O
Molecular Weight286.20 g/mol
Exact Mass286.04
IUPAC Name2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H7F5O/c15-8-3-7(4-9(16)6-8)5-12(20)10-1-2-11(17)14(19)13(10)18/h1-4,6H,5H2
InChIKeyYVAQADNSYNWGOG-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964096
1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 115736507
1-(2,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 62789590
2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62963933
1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105405269
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 106761722
2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114017886
2-(2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 55157525
1-(2,6-difluoro-3-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 82819556
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 79702795
2-(3,5-difluorophenyl)-1-(2,5-dihydroxyphenyl)ethanone
CID 121409988

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone (CID 62964616) is 2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone is O=C(Cc1cc(F)cc(F)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone?
The InChIKey is YVAQADNSYNWGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5O/c15-8-3-7(4-9(16)6-8)5-12(20)10-1-2-11(17)14(19)13(10)18/h1-4,6H,5H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone?
2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone has a molecular weight of 286.20 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone is sourced from PubChem (CID 62964616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).