5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene

C8H4ClF2NO2 — CID 71818107

IUPAC5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C=C/c1c(F)cc(Cl)cc1F
InChIInChI=1S/C8H4ClF2NO2/c9-5-3-7(10)6(8(11)4-5)1-2-12(13)14/h1-4H/b2-1+
InChIKeyUGPXGKZHLDUHMI-OWOJBTEDSA-N
MW219.57 g/mol
LogP2.87
Rot. Bonds2

About 5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene

5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene (PubChem CID 71818107) has the molecular formula C8H4ClF2NO2 and a molecular weight of 219.57 g/mol. Its IUPAC name is 5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene
PubChem CID71818107
Molecular FormulaC8H4ClF2NO2
Molecular Weight219.57 g/mol
Exact Mass218.99
IUPAC Name5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C=C/c1c(F)cc(Cl)cc1F
InChIInChI=1S/C8H4ClF2NO2/c9-5-3-7(10)6(8(11)4-5)1-2-12(13)14/h1-4H/b2-1+
InChIKeyUGPXGKZHLDUHMI-OWOJBTEDSA-N
XLogP2.87
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.57
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene?
The IUPAC name of 5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene (CID 71818107) is 5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for 5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene?
The canonical SMILES for 5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene is O=[N+]([O-])/C=C/c1c(F)cc(Cl)cc1F.
What is the InChIKey of 5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene?
The InChIKey is UGPXGKZHLDUHMI-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H4ClF2NO2/c9-5-3-7(10)6(8(11)4-5)1-2-12(13)14/h1-4H/b2-1+.
What are the key properties of 5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene?
5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene has a molecular weight of 219.57 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 71818107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).