2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone

C14H9ClFNO3 — CID 81242654

IUPAC2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone
SMILESO=C(c1cccc([N+](=O)[O-])c1)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C14H9ClFNO3/c15-13(9-4-6-11(16)7-5-9)14(18)10-2-1-3-12(8-10)17(19)20/h1-8,13H
InChIKeyPCNBGJRWWGYNPN-UHFFFAOYSA-N
MW293.68 g/mol
LogP3.90
Rot. Bonds4

About 2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone

2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone (PubChem CID 81242654) has the molecular formula C14H9ClFNO3 and a molecular weight of 293.68 g/mol. Its IUPAC name is 2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone
PubChem CID81242654
Molecular FormulaC14H9ClFNO3
Molecular Weight293.68 g/mol
Exact Mass293.03
IUPAC Name2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone
SMILESO=C(c1cccc([N+](=O)[O-])c1)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C14H9ClFNO3/c15-13(9-4-6-11(16)7-5-9)14(18)10-2-1-3-12(8-10)17(19)20/h1-8,13H
InChIKeyPCNBGJRWWGYNPN-UHFFFAOYSA-N
XLogP3.90
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(4-nitrophenyl)-1-phenylethanone
CID 12546973
[(1R)-1-(4-fluorophenyl)ethyl] 3-nitrobenzoate
CID 7866027
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-nitrobenzamide
CID 110888918
2-chloro-1,2-bis(3-fluorophenyl)ethanone
CID 21408832
N-[(4-fluorophenyl)methyl]-3-nitrobenzamide
CID 737682
[(1R)-1-(4-fluorophenyl)ethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843387
[4-(4-fluorobenzoyl)phenyl] 3-nitrobenzoate
CID 2713472
4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide
CID 5087058
2-chloro-4-(methylamino)-1-(3-nitrophenyl)butan-1-one
CID 20528445
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 30394970
2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 82875870
3-nitrobenzoyl iodide
CID 87511250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone?
The IUPAC name of 2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone (CID 81242654) is 2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone.
What is the SMILES notation for 2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone?
The canonical SMILES for 2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone is O=C(c1cccc([N+](=O)[O-])c1)C(Cl)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone?
The InChIKey is PCNBGJRWWGYNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO3/c15-13(9-4-6-11(16)7-5-9)14(18)10-2-1-3-12(8-10)17(19)20/h1-8,13H.
What are the key properties of 2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone?
2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone has a molecular weight of 293.68 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone is sourced from PubChem (CID 81242654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).