3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one

C16H10FNO4 — CID 2346702

IUPAC3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one
SMILESO=C1OCC(c2ccc(F)cc2)=C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H10FNO4/c17-11-7-5-10(6-8-11)13-9-22-16(19)15(13)12-3-1-2-4-14(12)18(20)21/h1-8H,9H2
InChIKeyRTMWOWMVSTWRHP-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.20
Rot. Bonds3

About 3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one

3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one (PubChem CID 2346702) has the molecular formula C16H10FNO4 and a molecular weight of 299.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one
PubChem CID2346702
Molecular FormulaC16H10FNO4
Molecular Weight299.26 g/mol
Exact Mass299.06
IUPAC Name3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one
SMILESO=C1OCC(c2ccc(F)cc2)=C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H10FNO4/c17-11-7-5-10(6-8-11)13-9-22-16(19)15(13)12-3-1-2-4-14(12)18(20)21/h1-8H,9H2
InChIKeyRTMWOWMVSTWRHP-UHFFFAOYSA-N
XLogP3.20
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.20
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylphenyl)-4-(4-nitrophenyl)-2H-furan-5-one
CID 2416592
3-(2-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one
CID 118721953
1,3-difluoro-5-(2-nitrophenyl)benzene
CID 134598355
4-(2-methylphenyl)-3-(4-methylsulfanylphenyl)-2H-furan-5-one
CID 142233083
[2-[3-(4-methylsulfonylphenyl)-5-oxo-2H-furan-4-yl]phenyl] acetate
CID 10406946
2-(4-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 2875320
3-[4-(N,S-dimethylsulfonimidoyl)phenyl]-4-phenyl-2H-furan-5-one
CID 53379501
3-(4-methoxy-3-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
CID 11850777
5-(4-fluorophenyl)-1-(2-nitrophenyl)pyrazole
CID 141141729
N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide
CID 11473296
2-(2-nitrophenyl)-4,5-dihydro-1H-imidazole
CID 10877953
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one?
The IUPAC name of 3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one (CID 2346702) is 3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one is O=C1OCC(c2ccc(F)cc2)=C1c1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one?
The InChIKey is RTMWOWMVSTWRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO4/c17-11-7-5-10(6-8-11)13-9-22-16(19)15(13)12-3-1-2-4-14(12)18(20)21/h1-8H,9H2.
What are the key properties of 3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one?
3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one has a molecular weight of 299.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one is sourced from PubChem (CID 2346702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).