2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene

C15H11Cl2F — CID 173119979

IUPAC2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene
SMILESFc1ccc(/C=C/Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H11Cl2F/c16-13-7-6-12(15(17)10-13)3-1-2-11-4-8-14(18)9-5-11/h1-2,4-10H,3H2/b2-1+
InChIKeyZCMDMAXVPYCAGP-OWOJBTEDSA-N
MW281.16 g/mol
LogP5.39
Rot. Bonds3

About 2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene

2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene (PubChem CID 173119979) has the molecular formula C15H11Cl2F and a molecular weight of 281.16 g/mol. Its IUPAC name is 2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene
PubChem CID173119979
Molecular FormulaC15H11Cl2F
Molecular Weight281.16 g/mol
Exact Mass280.02
IUPAC Name2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene
SMILESFc1ccc(/C=C/Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H11Cl2F/c16-13-7-6-12(15(17)10-13)3-1-2-11-4-8-14(18)9-5-11/h1-2,4-10H,3H2/b2-1+
InChIKeyZCMDMAXVPYCAGP-OWOJBTEDSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene (CID 173119979) is 2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene is Fc1ccc(/C=C/Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene?
The InChIKey is ZCMDMAXVPYCAGP-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H11Cl2F/c16-13-7-6-12(15(17)10-13)3-1-2-11-4-8-14(18)9-5-11/h1-2,4-10H,3H2/b2-1+.
What are the key properties of 2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene?
2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene has a molecular weight of 281.16 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene is sourced from PubChem (CID 173119979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).