1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene

C9H7BrF2 — CID 125476010

IUPAC1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene
SMILESFC(F)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C9H7BrF2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,9H/b6-3+
InChIKeyHQJIDHJLMXGTFZ-ZZXKWVIFSA-N
MW233.06 g/mol
LogP3.73
Rot. Bonds2

About 1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene

1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene (PubChem CID 125476010) has the molecular formula C9H7BrF2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene
PubChem CID125476010
Molecular FormulaC9H7BrF2
Molecular Weight233.06 g/mol
Exact Mass231.97
IUPAC Name1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene
SMILESFC(F)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C9H7BrF2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,9H/b6-3+
InChIKeyHQJIDHJLMXGTFZ-ZZXKWVIFSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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4-[(E)-2-(4-bromophenyl)ethenyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene (CID 125476010) is 1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene is FC(F)/C=C/c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene?
The InChIKey is HQJIDHJLMXGTFZ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H7BrF2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,9H/b6-3+.
What are the key properties of 1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene?
1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene has a molecular weight of 233.06 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene is sourced from PubChem (CID 125476010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).