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

C14H10FNO3 — CID 12909590

IUPAC1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone
SMILESO=C(Cc1ccccc1[N+](=O)[O-])c1ccccc1F
InChIInChI=1S/C14H10FNO3/c15-12-7-3-2-6-11(12)14(17)9-10-5-1-4-8-13(10)16(18)19/h1-8H,9H2
InChIKeyLHPJZIQUTHJSBB-UHFFFAOYSA-N
MW259.24 g/mol
LogP3.16
Rot. Bonds4

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

1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone (PubChem CID 12909590) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone
PubChem CID12909590
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC Name1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone
SMILESO=C(Cc1ccccc1[N+](=O)[O-])c1ccccc1F
InChIInChI=1S/C14H10FNO3/c15-12-7-3-2-6-11(12)14(17)9-10-5-1-4-8-13(10)16(18)19/h1-8H,9H2
InChIKeyLHPJZIQUTHJSBB-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

1,2-bis(2-nitrophenyl)ethanone
CID 2750227
2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 65098515
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone
CID 65433449
2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone
CID 104831980
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-nitrophenyl)ethanone
CID 78849851
N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688
1-(5-bromo-2-chlorophenyl)-2-(2-nitrophenyl)ethanone
CID 61056069
fluoro 2-(2-nitrophenyl)acetate
CID 174655979
1-(4-bromo-2-methylphenyl)-2-(2-nitrophenyl)ethanone
CID 61056070
1-(4-bromo-2-chlorophenyl)-2-(2-nitrophenyl)ethanone
CID 61055886
1-(3-bromo-5-fluorophenyl)-2-(2-nitrophenyl)ethanone
CID 61056068

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone (CID 12909590) is 1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone is O=C(Cc1ccccc1[N+](=O)[O-])c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone?
The InChIKey is LHPJZIQUTHJSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c15-12-7-3-2-6-11(12)14(17)9-10-5-1-4-8-13(10)16(18)19/h1-8H,9H2.
What are the key properties of 1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone?
1-(2-fluorophenyl)-2-(2-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-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone is sourced from PubChem (CID 12909590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).