1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene

C15H11F2NO2 — CID 77004199

IUPAC1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene
SMILESO=[N+]([O-])C(=Cc1cccc(F)c1F)Cc1ccccc1
InChIInChI=1S/C15H11F2NO2/c16-14-8-4-7-12(15(14)17)10-13(18(19)20)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyAFHSYFJZAROABK-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.83
Rot. Bonds4

About 1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene

1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene (PubChem CID 77004199) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is 1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene
PubChem CID77004199
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene
SMILESO=[N+]([O-])C(=Cc1cccc(F)c1F)Cc1ccccc1
InChIInChI=1S/C15H11F2NO2/c16-14-8-4-7-12(15(14)17)10-13(18(19)20)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyAFHSYFJZAROABK-UHFFFAOYSA-N
XLogP3.83
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bromo-2-(2-nitro-3-phenylprop-1-enyl)benzene
CID 76948601
1,4-dimethyl-2-(2-nitro-3-phenylprop-1-enyl)benzene
CID 76948475
1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene
CID 76948604
2-fluoro-1-methoxy-4-(2-nitro-3-phenylprop-1-enyl)benzene
CID 77055557
1-(difluoromethyl)-3-[(E)-2-nitro-3-phenylprop-1-enyl]benzene
CID 115528222
1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene
CID 67773637
5-chloro-1-methyl-2-[(Z)-2-nitro-3-phenylprop-1-enyl]imidazole
CID 114239486
1-ethyl-2-(2-nitro-3-phenylprop-1-enyl)pyrrole
CID 77133194
1-methyl-5-(2-nitro-3-phenylprop-1-enyl)imidazole
CID 77113060
1-[2-(chloromethyl)-3-methylbut-1-enyl]-2,3-difluorobenzene
CID 79334024
2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339697
1-nitro-2-(2-nitrobut-1-enyl)benzene
CID 72796209

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene?
The IUPAC name of 1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene (CID 77004199) is 1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene.
What is the SMILES notation for 1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene?
The canonical SMILES for 1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene is O=[N+]([O-])C(=Cc1cccc(F)c1F)Cc1ccccc1.
What is the InChIKey of 1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene?
The InChIKey is AFHSYFJZAROABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c16-14-8-4-7-12(15(14)17)10-13(18(19)20)9-11-5-2-1-3-6-11/h1-8,10H,9H2.
What are the key properties of 1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene?
1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene has a molecular weight of 275.25 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene is sourced from PubChem (CID 77004199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).