1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone

C14H9F2NO4 — CID 62368694

IUPAC1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H9F2NO4/c1-8(18)9-2-4-13(11(16)6-9)21-14-5-3-10(15)7-12(14)17(19)20/h2-7H,1H3
InChIKeyMQBVUSVMVPLNGF-UHFFFAOYSA-N
MW293.23 g/mol
LogP3.87
Rot. Bonds4

About 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone

1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone (PubChem CID 62368694) has the molecular formula C14H9F2NO4 and a molecular weight of 293.23 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone
PubChem CID62368694
Molecular FormulaC14H9F2NO4
Molecular Weight293.23 g/mol
Exact Mass293.05
IUPAC Name1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H9F2NO4/c1-8(18)9-2-4-13(11(16)6-9)21-14-5-3-10(15)7-12(14)17(19)20/h2-7H,1H3
InChIKeyMQBVUSVMVPLNGF-UHFFFAOYSA-N
XLogP3.87
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-nitro-4-(2-nitrophenoxy)phenyl]ethanone
CID 9279079
1-[4-(4-acetyl-2-methoxyphenoxy)-3-nitrophenyl]ethanone
CID 9112488
2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid
CID 115298221
1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone
CID 9212979
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone
CID 155458337
1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 62367686
(1R)-1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 63369894
1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone
CID 9282374
2-(4-acetyl-2-nitrophenoxy)benzamide
CID 9251324
1-[3-fluoro-4-(3-nitrophenoxy)phenyl]ethanone
CID 61030514
1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]ethanone
CID 2737280
4-(4-acetyl-2-nitrophenoxy)-3-nitrobenzenesulfonamide
CID 33381315

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone (CID 62368694) is 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone?
The InChIKey is MQBVUSVMVPLNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO4/c1-8(18)9-2-4-13(11(16)6-9)21-14-5-3-10(15)7-12(14)17(19)20/h2-7H,1H3.
What are the key properties of 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone?
1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone has a molecular weight of 293.23 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone is sourced from PubChem (CID 62368694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).