4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene

C9H7ClFNO2 — CID 123795160

IUPAC4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene
SMILESCC(=Cc1ccc(Cl)cc1F)[N+](=O)[O-]
InChIInChI=1S/C9H7ClFNO2/c1-6(12(13)14)4-7-2-3-8(10)5-9(7)11/h2-5H,1H3
InChIKeyFCSUZSNICRAFTI-UHFFFAOYSA-N
MW215.61 g/mol
LogP3.12
Rot. Bonds2

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

4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene (PubChem CID 123795160) has the molecular formula C9H7ClFNO2 and a molecular weight of 215.61 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene
PubChem CID123795160
Molecular FormulaC9H7ClFNO2
Molecular Weight215.61 g/mol
Exact Mass215.01
IUPAC Name4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene
SMILESCC(=Cc1ccc(Cl)cc1F)[N+](=O)[O-]
InChIInChI=1S/C9H7ClFNO2/c1-6(12(13)14)4-7-2-3-8(10)5-9(7)11/h2-5H,1H3
InChIKeyFCSUZSNICRAFTI-UHFFFAOYSA-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

1,4-difluoro-2-[(E)-2-nitroprop-1-enyl]benzene
CID 24721448
2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene
CID 81165656
6-chloro-3-[(E)-2-nitroprop-1-enyl]-1H-indole
CID 46867787
4-bromo-2-chloro-1-(2-nitroprop-1-enyl)benzene
CID 67342127
1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene
CID 76936147
1,3-dichloro-5-(2-nitroprop-1-enyl)benzene
CID 76913009
1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene
CID 114867400
2-[(E)-2-nitroprop-1-enyl]benzene-1,4-diol
CID 24988512
2-chloro-4-(iodomethyl)-1-[(E)-2-nitroprop-1-enyl]benzene
CID 89224256
4-(4-chloro-2-fluorophenyl)but-3-en-2-one
CID 67127595
(E)-4-(4-chloro-2-fluorophenyl)-3-methylbut-3-en-2-amine
CID 103091665
(2Z)-2-[(4-chloro-2-fluorophenyl)methylidene]-3-methylbutanal
CID 114867367

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene?
The IUPAC name of 4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene (CID 123795160) is 4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene?
The canonical SMILES for 4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene is CC(=Cc1ccc(Cl)cc1F)[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene?
The InChIKey is FCSUZSNICRAFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO2/c1-6(12(13)14)4-7-2-3-8(10)5-9(7)11/h2-5H,1H3.
What are the key properties of 4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene?
4-chloro-2-fluoro-1-(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 4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene is sourced from PubChem (CID 123795160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).