1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene

C15H9Cl3F2 — CID 68781452

IUPAC1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene
SMILESFc1ccc(/C(=C/c2ccc(Cl)c(Cl)c2)CCl)c(F)c1
InChIInChI=1S/C15H9Cl3F2/c16-8-10(12-3-2-11(19)7-15(12)20)5-9-1-4-13(17)14(18)6-9/h1-7H,8H2/b10-5+
InChIKeyKPKDLUAQSVPIPZ-BJMVGYQFSA-N
MW333.59 g/mol
LogP6.05
Rot. Bonds3

About 1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene

1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene (PubChem CID 68781452) has the molecular formula C15H9Cl3F2 and a molecular weight of 333.59 g/mol. Its IUPAC name is 1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene
PubChem CID68781452
Molecular FormulaC15H9Cl3F2
Molecular Weight333.59 g/mol
Exact Mass331.97
IUPAC Name1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene
SMILESFc1ccc(/C(=C/c2ccc(Cl)c(Cl)c2)CCl)c(F)c1
InChIInChI=1S/C15H9Cl3F2/c16-8-10(12-3-2-11(19)7-15(12)20)5-9-1-4-13(17)14(18)6-9/h1-7H,8H2/b10-5+
InChIKeyKPKDLUAQSVPIPZ-BJMVGYQFSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.59
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene?
The IUPAC name of 1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene (CID 68781452) is 1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene is Fc1ccc(/C(=C/c2ccc(Cl)c(Cl)c2)CCl)c(F)c1.
What is the InChIKey of 1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene?
The InChIKey is KPKDLUAQSVPIPZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H9Cl3F2/c16-8-10(12-3-2-11(19)7-15(12)20)5-9-1-4-13(17)14(18)6-9/h1-7H,8H2/b10-5+.
What are the key properties of 1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene?
1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene has a molecular weight of 333.59 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene is sourced from PubChem (CID 68781452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).