1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene

C15H11Cl2F — CID 69293885

IUPAC1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene
SMILESC=C(c1ccc(F)cc1)C(Cl)c1ccccc1Cl
InChIInChI=1S/C15H11Cl2F/c1-10(11-6-8-12(18)9-7-11)15(17)13-4-2-3-5-14(13)16/h2-9,15H,1H2
InChIKeyWQNGABKISVXUDH-UHFFFAOYSA-N
MW281.16 g/mol
LogP5.47
Rot. Bonds3

About 1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene

1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene (PubChem CID 69293885) has the molecular formula C15H11Cl2F and a molecular weight of 281.16 g/mol. Its IUPAC name is 1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene
PubChem CID69293885
Molecular FormulaC15H11Cl2F
Molecular Weight281.16 g/mol
Exact Mass280.02
IUPAC Name1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene
SMILESC=C(c1ccc(F)cc1)C(Cl)c1ccccc1Cl
InChIInChI=1S/C15H11Cl2F/c1-10(11-6-8-12(18)9-7-11)15(17)13-4-2-3-5-14(13)16/h2-9,15H,1H2
InChIKeyWQNGABKISVXUDH-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.16
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene?
The IUPAC name of 1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene (CID 69293885) is 1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene.
What is the SMILES notation for 1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene?
The canonical SMILES for 1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene is C=C(c1ccc(F)cc1)C(Cl)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene?
The InChIKey is WQNGABKISVXUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F/c1-10(11-6-8-12(18)9-7-11)15(17)13-4-2-3-5-14(13)16/h2-9,15H,1H2.
What are the key properties of 1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene?
1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene has a molecular weight of 281.16 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-chloro-2-(4-fluorophenyl)prop-2-enyl]benzene is sourced from PubChem (CID 69293885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).