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

C15H10Cl2F2 — CID 68778468

IUPAC2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(/C(=C/c2ccc(Cl)cc2)CCl)c1
InChIInChI=1S/C15H10Cl2F2/c16-9-11(7-10-1-3-12(17)4-2-10)14-8-13(18)5-6-15(14)19/h1-8H,9H2/b11-7+
InChIKeyUGISQRDKRUEDON-YRNVUSSQSA-N
MW299.15 g/mol
LogP5.40
Rot. Bonds3

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

2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene (PubChem CID 68778468) has the molecular formula C15H10Cl2F2 and a molecular weight of 299.15 g/mol. Its IUPAC name is 2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene
PubChem CID68778468
Molecular FormulaC15H10Cl2F2
Molecular Weight299.15 g/mol
Exact Mass298.01
IUPAC Name2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(/C(=C/c2ccc(Cl)cc2)CCl)c1
InChIInChI=1S/C15H10Cl2F2/c16-9-11(7-10-1-3-12(17)4-2-10)14-8-13(18)5-6-15(14)19/h1-8H,9H2/b11-7+
InChIKeyUGISQRDKRUEDON-YRNVUSSQSA-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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Related Compounds

(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol
CID 155704173
1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene
CID 68781452
2-[3-chloro-1-(2-methylphenyl)prop-1-en-2-yl]-1,4-difluorobenzene
CID 68782958
1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene
CID 68781778
3-(2,5-difluorophenyl)-3-oxopropanal
CID 43114709
4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene
CID 58006826
(E)-N-aminosulfanyl-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-enamide
CID 155177086
N-(3-chloropropyl)-2,5-difluorobenzamide
CID 43133472
1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene
CID 152586200
4-chloro-1-(2,5-difluorophenyl)butan-1-one
CID 175501852
1-[(Z)-3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluoro-2-methoxybenzene
CID 68734487
(E)-1-(2,5-difluorophenyl)-2-methyl-3-phenylprop-2-en-1-one
CID 59347721

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene?
The IUPAC name of 2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene (CID 68778468) is 2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene?
The canonical SMILES for 2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene is Fc1ccc(F)c(/C(=C/c2ccc(Cl)cc2)CCl)c1.
What is the InChIKey of 2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene?
The InChIKey is UGISQRDKRUEDON-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H10Cl2F2/c16-9-11(7-10-1-3-12(17)4-2-10)14-8-13(18)5-6-15(14)19/h1-8H,9H2/b11-7+.
What are the key properties of 2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene?
2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-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 2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene is sourced from PubChem (CID 68778468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).