4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene

C15H11FN2O4 — CID 172579003

IUPAC4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene
SMILESC/C(=C\c1cc(F)ccc1-c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]
InChIInChI=1S/C15H11FN2O4/c1-10(17(19)20)7-12-8-13(16)5-6-15(12)11-3-2-4-14(9-11)18(21)22/h2-9H,1H3/b10-7+
InChIKeyGIVJUIBUSYVVLS-JXMROGBWSA-N
MW302.26 g/mol
LogP4.04
Rot. Bonds4

About 4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene

4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene (PubChem CID 172579003) has the molecular formula C15H11FN2O4 and a molecular weight of 302.26 g/mol. Its IUPAC name is 4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene.

Molecular Properties

Compound Name4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene
PubChem CID172579003
Molecular FormulaC15H11FN2O4
Molecular Weight302.26 g/mol
Exact Mass302.07
IUPAC Name4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene
SMILESC/C(=C\c1cc(F)ccc1-c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]
InChIInChI=1S/C15H11FN2O4/c1-10(17(19)20)7-12-8-13(16)5-6-15(12)11-3-2-4-14(9-11)18(21)22/h2-9H,1H3/b10-7+
InChIKeyGIVJUIBUSYVVLS-JXMROGBWSA-N
XLogP4.04
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 54.04
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

4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
CID 57155248
1,4-difluoro-2-[(E)-2-nitroprop-1-enyl]benzene
CID 24721448
1-fluoro-3-(2-nitroprop-1-enyl)benzene
CID 74315808
2,6-difluoro-3-(3-nitrophenyl)aniline
CID 165455760
1-fluoro-3-nitrobenzene;formic acid
CID 162160799
5-methyl-2-(3-nitrophenyl)benzoic acid
CID 53226333
4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
CID 46312617
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
formic acid;1-nitro-3-phenylbenzene
CID 158057338
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene?
The IUPAC name of 4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene (CID 172579003) is 4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene.
What is the SMILES notation for 4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene?
The canonical SMILES for 4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene is C/C(=C\c1cc(F)ccc1-c1cccc([N+](=O)[O-])c1)[N+](=O)[O-].
What is the InChIKey of 4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene?
The InChIKey is GIVJUIBUSYVVLS-JXMROGBWSA-N. The full InChI is InChI=1S/C15H11FN2O4/c1-10(17(19)20)7-12-8-13(16)5-6-15(12)11-3-2-4-14(9-11)18(21)22/h2-9H,1H3/b10-7+.
What are the key properties of 4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene?
4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene has a molecular weight of 302.26 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-nitrophenyl)-2-[(E)-2-nitroprop-1-enyl]benzene is sourced from PubChem (CID 172579003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).