1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene

C15H11BrClF — CID 14497613

IUPAC1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene
SMILESFc1ccc(/C(=C\c2ccccc2Cl)CBr)cc1
InChIInChI=1S/C15H11BrClF/c16-10-13(11-5-7-14(18)8-6-11)9-12-3-1-2-4-15(12)17/h1-9H,10H2/b13-9-
InChIKeyYNNRHMAGCCHGCT-LCYFTJDESA-N
MW325.61 g/mol
LogP5.41
Rot. Bonds3

About 1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene

1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene (PubChem CID 14497613) has the molecular formula C15H11BrClF and a molecular weight of 325.61 g/mol. Its IUPAC name is 1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene
PubChem CID14497613
Molecular FormulaC15H11BrClF
Molecular Weight325.61 g/mol
Exact Mass323.97
IUPAC Name1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene
SMILESFc1ccc(/C(=C\c2ccccc2Cl)CBr)cc1
InChIInChI=1S/C15H11BrClF/c16-10-13(11-5-7-14(18)8-6-11)9-12-3-1-2-4-15(12)17/h1-9H,10H2/b13-9-
InChIKeyYNNRHMAGCCHGCT-LCYFTJDESA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.61
LogP ≤ 55.41
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-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene?
The IUPAC name of 1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene (CID 14497613) is 1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene.
What is the SMILES notation for 1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene?
The canonical SMILES for 1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene is Fc1ccc(/C(=C\c2ccccc2Cl)CBr)cc1.
What is the InChIKey of 1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene?
The InChIKey is YNNRHMAGCCHGCT-LCYFTJDESA-N. The full InChI is InChI=1S/C15H11BrClF/c16-10-13(11-5-7-14(18)8-6-11)9-12-3-1-2-4-15(12)17/h1-9H,10H2/b13-9-.
What are the key properties of 1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene?
1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene has a molecular weight of 325.61 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-bromo-1-(2-chlorophenyl)prop-1-en-2-yl]-4-fluorobenzene is sourced from PubChem (CID 14497613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).