1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene

C12H11BrClF — CID 70230113

IUPAC1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene
SMILESF/C(=C/C1(c2ccc(Cl)cc2)CC1)CBr
InChIInChI=1S/C12H11BrClF/c13-8-11(15)7-12(5-6-12)9-1-3-10(14)4-2-9/h1-4,7H,5-6,8H2/b11-7+
InChIKeyDLDNYFCINGNKBG-YRNVUSSQSA-N
MW289.58 g/mol
LogP4.62
Rot. Bonds3

About 1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene

1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene (PubChem CID 70230113) has the molecular formula C12H11BrClF and a molecular weight of 289.58 g/mol. Its IUPAC name is 1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene
PubChem CID70230113
Molecular FormulaC12H11BrClF
Molecular Weight289.58 g/mol
Exact Mass287.97
IUPAC Name1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene
SMILESF/C(=C/C1(c2ccc(Cl)cc2)CC1)CBr
InChIInChI=1S/C12H11BrClF/c13-8-11(15)7-12(5-6-12)9-1-3-10(14)4-2-9/h1-4,7H,5-6,8H2/b11-7+
InChIKeyDLDNYFCINGNKBG-YRNVUSSQSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.58
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene?
The IUPAC name of 1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene (CID 70230113) is 1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene.
What is the SMILES notation for 1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene?
The canonical SMILES for 1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene is F/C(=C/C1(c2ccc(Cl)cc2)CC1)CBr.
What is the InChIKey of 1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene?
The InChIKey is DLDNYFCINGNKBG-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H11BrClF/c13-8-11(15)7-12(5-6-12)9-1-3-10(14)4-2-9/h1-4,7H,5-6,8H2/b11-7+.
What are the key properties of 1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene?
1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene has a molecular weight of 289.58 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene is sourced from PubChem (CID 70230113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).