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

C14H10FNO4 — CID 47184501

IUPAC1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2F)c1
InChIInChI=1S/C14H10FNO4/c1-9(17)10-3-2-4-12(7-10)20-14-6-5-11(16(18)19)8-13(14)15/h2-8H,1H3
InChIKeyKZZQMGHATQKZBF-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.73
Rot. Bonds4

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

1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone (PubChem CID 47184501) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone
PubChem CID47184501
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2F)c1
InChIInChI=1S/C14H10FNO4/c1-9(17)10-3-2-4-12(7-10)20-14-6-5-11(16(18)19)8-13(14)15/h2-8H,1H3
InChIKeyKZZQMGHATQKZBF-UHFFFAOYSA-N
XLogP3.73
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.73
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-fluoro-4-(3-nitrophenoxy)phenyl]ethanone
CID 61030514
1-[3-(2-chloro-5-nitrophenoxy)phenyl]ethanone
CID 79168562
4-(3-acetylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile
CID 4606659
4-(3-acetylphenoxy)-3-fluorobenzonitrile
CID 107665227
1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone
CID 79167211
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
(3-acetylphenyl) 3-nitrobenzoate
CID 785188
1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone
CID 62873224
3-[4-nitro-2-(trifluoromethyl)phenoxy]benzoate
CID 6923587
1-[3-[2-fluoro-6-methoxy-3-(4-nitrophenoxy)phenyl]phenyl]ethanone
CID 69003311
1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanone
CID 9112145
methyl 5-(2-fluoro-4-nitrophenoxy)-2-nitrobenzoate
CID 133302543

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone (CID 47184501) is 1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone is CC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2F)c1.
What is the InChIKey of 1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone?
The InChIKey is KZZQMGHATQKZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c1-9(17)10-3-2-4-12(7-10)20-14-6-5-11(16(18)19)8-13(14)15/h2-8H,1H3.
What are the key properties of 1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone?
1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone has a molecular weight of 275.24 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone is sourced from PubChem (CID 47184501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).