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

C14H10FNO3 — CID 23372647

IUPAC1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1
InChIInChI=1S/C14H10FNO3/c15-12-5-3-11(4-6-12)14(17)9-10-1-7-13(8-2-10)16(18)19/h1-8H,9H2
InChIKeyBYINMIAEOURRNC-UHFFFAOYSA-N
MW259.24 g/mol
LogP3.16
Rot. Bonds4

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

1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone (PubChem CID 23372647) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
PubChem CID23372647
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC Name1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1
InChIInChI=1S/C14H10FNO3/c15-12-5-3-11(4-6-12)14(17)9-10-1-7-13(8-2-10)16(18)19/h1-8H,9H2
InChIKeyBYINMIAEOURRNC-UHFFFAOYSA-N
XLogP3.16
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 53.16
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-(4-nitrophenyl)-2-[4-[4-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]phenyl]ethanone
CID 159718467
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate
CID 23820536
2-(4-methylphenyl)-1-(4-nitrophenyl)ethanone
CID 61077720
1-(4-nitrophenyl)-2-pyridin-4-ylethanone
CID 14291559
N-[(4-fluorophenyl)methyl]-4-nitrobenzamide
CID 1101313
1-(3,5-dibromophenyl)-2-(4-nitrophenyl)ethanone
CID 107980624
potassium 2-(4-nitrophenyl)acetate
CID 15261201
1-(4-fluorophenyl)-3-(4-nitrophenoxy)propan-2-one
CID 61031388
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
4-[2-(4-fluorophenyl)acetyl]benzaldehyde
CID 82117645
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone (CID 23372647) is 1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone is O=C(Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone?
The InChIKey is BYINMIAEOURRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c15-12-5-3-11(4-6-12)14(17)9-10-1-7-13(8-2-10)16(18)19/h1-8H,9H2.
What are the key properties of 1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone?
1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone has a molecular weight of 259.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone is sourced from PubChem (CID 23372647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).