2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone

C14H8ClF2NO3 — CID 107122499

IUPAC2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C14H8ClF2NO3/c15-9-3-1-2-8(4-9)5-13(19)11-6-10(16)7-12(14(11)17)18(20)21/h1-4,6-7H,5H2
InChIKeyVVYDDLDJAKEBHP-UHFFFAOYSA-N
MW311.67 g/mol
LogP3.95
Rot. Bonds4

About 2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone

2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone (PubChem CID 107122499) has the molecular formula C14H8ClF2NO3 and a molecular weight of 311.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone
PubChem CID107122499
Molecular FormulaC14H8ClF2NO3
Molecular Weight311.67 g/mol
Exact Mass311.02
IUPAC Name2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C14H8ClF2NO3/c15-9-3-1-2-8(4-9)5-13(19)11-6-10(16)7-12(14(11)17)18(20)21/h1-4,6-7H,5H2
InChIKeyVVYDDLDJAKEBHP-UHFFFAOYSA-N
XLogP3.95
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.67
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone
CID 107122498
2-(3-chlorophenyl)-1-(5-methyl-2-nitrophenyl)ethanone
CID 65462629
1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone
CID 148638353
1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone
CID 107122512
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62388067
2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone
CID 62505296
benzyl 2,5-difluoro-3-nitrobenzoate
CID 107123592
2-(3-fluorophenyl)-1-(5-methyl-2-nitrophenyl)ethanone
CID 65462026
2,5-difluoro-3-nitrobenzoic acid
CID 15622527
2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 62505653
2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
5-(3-chlorophenyl)-2-fluoro-3-nitrobenzoic acid
CID 171121626

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone (CID 107122499) is 2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone is O=C(Cc1cccc(Cl)c1)c1cc(F)cc([N+](=O)[O-])c1F.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone?
The InChIKey is VVYDDLDJAKEBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2NO3/c15-9-3-1-2-8(4-9)5-13(19)11-6-10(16)7-12(14(11)17)18(20)21/h1-4,6-7H,5H2.
What are the key properties of 2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone?
2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone has a molecular weight of 311.67 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone is sourced from PubChem (CID 107122499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).