1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene

C9H7Cl2F — CID 67122554

IUPAC1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene
SMILESFC(=CCCl)c1ccc(Cl)cc1
InChIInChI=1S/C9H7Cl2F/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-5H,6H2
InChIKeyXELVVIASVVKEIH-UHFFFAOYSA-N
MW205.06 g/mol
LogP3.89
Rot. Bonds2

About 1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene

1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene (PubChem CID 67122554) has the molecular formula C9H7Cl2F and a molecular weight of 205.06 g/mol. Its IUPAC name is 1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene
PubChem CID67122554
Molecular FormulaC9H7Cl2F
Molecular Weight205.06 g/mol
Exact Mass203.99
IUPAC Name1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene
SMILESFC(=CCCl)c1ccc(Cl)cc1
InChIInChI=1S/C9H7Cl2F/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-5H,6H2
InChIKeyXELVVIASVVKEIH-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.06
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-(1-fluoroprop-1-enyl)benzene
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1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene
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1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene
CID 131856850
1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene
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1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
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(E)-4-(4-chlorophenyl)pent-3-en-1-ol
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1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene?
The IUPAC name of 1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene (CID 67122554) is 1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene.
What is the SMILES notation for 1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene?
The canonical SMILES for 1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene is FC(=CCCl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene?
The InChIKey is XELVVIASVVKEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-5H,6H2.
What are the key properties of 1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene?
1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene has a molecular weight of 205.06 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene is sourced from PubChem (CID 67122554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).