(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone

C13H7ClFNO3 — CID 11818322

IUPAC(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C13H7ClFNO3/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(16(18)19)7-12(11)15/h1-7H
InChIKeyUWETYZKILXHVSP-UHFFFAOYSA-N
MW279.65 g/mol
LogP3.62
Rot. Bonds3

About (3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone

(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone (PubChem CID 11818322) has the molecular formula C13H7ClFNO3 and a molecular weight of 279.65 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone
PubChem CID11818322
Molecular FormulaC13H7ClFNO3
Molecular Weight279.65 g/mol
Exact Mass279.01
IUPAC Name(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C13H7ClFNO3/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(16(18)19)7-12(11)15/h1-7H
InChIKeyUWETYZKILXHVSP-UHFFFAOYSA-N
XLogP3.62
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 53.62
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

(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone
CID 5231026
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
2-fluoro-4-nitrobenzoyl chloride
CID 10420435
(2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone
CID 68537792
(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone
CID 90087855
2-fluoro-4-nitro-N-oxobenzamide
CID 89146767
2-(3-nitrobenzoyl)benzoyl chloride
CID 86186966
(3-chlorophenyl)-(3,4-dihydroxy-5-nitrophenyl)methanone
CID 21459125
2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline
CID 86733096
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
(3-fluorophenyl)-(4-nitrophenyl)methanone
CID 24722816
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone?
The IUPAC name of (3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone (CID 11818322) is (3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone?
The canonical SMILES for (3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone is O=C(c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of (3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone?
The InChIKey is UWETYZKILXHVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFNO3/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(16(18)19)7-12(11)15/h1-7H.
What are the key properties of (3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone?
(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone has a molecular weight of 279.65 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone is sourced from PubChem (CID 11818322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).