1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene

C8H5ClFNO2 — CID 10845762

IUPAC1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene
SMILESO=[N+]([O-])/C(Cl)=C/c1ccc(F)cc1
InChIInChI=1S/C8H5ClFNO2/c9-8(11(12)13)5-6-1-3-7(10)4-2-6/h1-5H/b8-5+
InChIKeyLLPHYULXZAWOSX-VMPITWQZSA-N
MW201.58 g/mol
LogP2.64
Rot. Bonds2

About 1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene

1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene (PubChem CID 10845762) has the molecular formula C8H5ClFNO2 and a molecular weight of 201.58 g/mol. Its IUPAC name is 1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene
PubChem CID10845762
Molecular FormulaC8H5ClFNO2
Molecular Weight201.58 g/mol
Exact Mass201.00
IUPAC Name1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene
SMILESO=[N+]([O-])/C(Cl)=C/c1ccc(F)cc1
InChIInChI=1S/C8H5ClFNO2/c9-8(11(12)13)5-6-1-3-7(10)4-2-6/h1-5H/b8-5+
InChIKeyLLPHYULXZAWOSX-VMPITWQZSA-N
XLogP2.64
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.58
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'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 1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene?
The IUPAC name of 1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene (CID 10845762) is 1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene?
The canonical SMILES for 1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene is O=[N+]([O-])/C(Cl)=C/c1ccc(F)cc1.
What is the InChIKey of 1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene?
The InChIKey is LLPHYULXZAWOSX-VMPITWQZSA-N. The full InChI is InChI=1S/C8H5ClFNO2/c9-8(11(12)13)5-6-1-3-7(10)4-2-6/h1-5H/b8-5+.
What are the key properties of 1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene?
1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene has a molecular weight of 201.58 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-chloro-2-nitroethenyl]-4-fluorobenzene is sourced from PubChem (CID 10845762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).