2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene

C9H7ClFNO2 — CID 81165656

IUPAC2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene
SMILESC/C(=C/c1ccc(F)c(Cl)c1)[N+](=O)[O-]
InChIInChI=1S/C9H7ClFNO2/c1-6(12(13)14)4-7-2-3-9(11)8(10)5-7/h2-5H,1H3/b6-4-
InChIKeyHEPNBYPBBVDMGB-XQRVVYSFSA-N
MW215.61 g/mol
LogP3.12
Rot. Bonds2

About 2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene

2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene (PubChem CID 81165656) has the molecular formula C9H7ClFNO2 and a molecular weight of 215.61 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene
PubChem CID81165656
Molecular FormulaC9H7ClFNO2
Molecular Weight215.61 g/mol
Exact Mass215.01
IUPAC Name2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene
SMILESC/C(=C/c1ccc(F)c(Cl)c1)[N+](=O)[O-]
InChIInChI=1S/C9H7ClFNO2/c1-6(12(13)14)4-7-2-3-9(11)8(10)5-7/h2-5H,1H3/b6-4-
InChIKeyHEPNBYPBBVDMGB-XQRVVYSFSA-N
XLogP3.12
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 53.12
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

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1-Chloro-4-(2-nitro-1-propen-1-yl)benzene
CID 120341
Benzene, 1-fluoro-4-(2-nitropropenyl)-
CID 5371949
1,3-Dichloro-5-(2-nitroethenyl)benzene
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1-chloro-3-[(Z)-2-chloro-2-nitroethenyl]benzene
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5-chloro-1,3-difluoro-2-[(E)-2-nitroethenyl]benzene
CID 71818107
1-(2-Chlorophenyl)-2-nitropropene
CID 5841110
trans-2-Chloro-6-fluoro-beta-nitrostyrene
CID 688241
1-chloro-4-[(Z)-2-chloro-2-nitroethenyl]benzene
CID 14971162
1-(4-Chlorophenyl)-2-nitropropene
CID 1809354
2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene
CID 2063266

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene?
The IUPAC name of 2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene (CID 81165656) is 2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene is C/C(=C/c1ccc(F)c(Cl)c1)[N+](=O)[O-].
What is the InChIKey of 2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene?
The InChIKey is HEPNBYPBBVDMGB-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H7ClFNO2/c1-6(12(13)14)4-7-2-3-9(11)8(10)5-7/h2-5H,1H3/b6-4-.
What are the key properties of 2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene?
2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene has a molecular weight of 215.61 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene is sourced from PubChem (CID 81165656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).