1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene

C15H10Cl2F2 — CID 68781778

IUPAC1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene
SMILESFc1ccc(C(=Cc2ccccc2Cl)CCl)c(F)c1
InChIInChI=1S/C15H10Cl2F2/c16-9-11(7-10-3-1-2-4-14(10)17)13-6-5-12(18)8-15(13)19/h1-8H,9H2
InChIKeyZHRQKSTZPVSDQM-UHFFFAOYSA-N
MW299.15 g/mol
LogP5.40
Rot. Bonds3

About 1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene

1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene (PubChem CID 68781778) has the molecular formula C15H10Cl2F2 and a molecular weight of 299.15 g/mol. Its IUPAC name is 1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene
PubChem CID68781778
Molecular FormulaC15H10Cl2F2
Molecular Weight299.15 g/mol
Exact Mass298.01
IUPAC Name1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene
SMILESFc1ccc(C(=Cc2ccccc2Cl)CCl)c(F)c1
InChIInChI=1S/C15H10Cl2F2/c16-9-11(7-10-3-1-2-4-14(10)17)13-6-5-12(18)8-15(13)19/h1-8H,9H2
InChIKeyZHRQKSTZPVSDQM-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.15
LogP ≤ 55.40
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-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene?
The IUPAC name of 1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene (CID 68781778) is 1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene?
The canonical SMILES for 1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene is Fc1ccc(C(=Cc2ccccc2Cl)CCl)c(F)c1.
What is the InChIKey of 1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene?
The InChIKey is ZHRQKSTZPVSDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2/c16-9-11(7-10-3-1-2-4-14(10)17)13-6-5-12(18)8-15(13)19/h1-8H,9H2.
What are the key properties of 1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene?
1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene has a molecular weight of 299.15 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene is sourced from PubChem (CID 68781778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).