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

2-Bromotoluene
CID 7236
4-Bromotoluene
CID 7805
3-Bromotoluene
CID 11560
4-Bromobenzyl bromide
CID 68527
1-Bromo-4-ethylbenzene
CID 15313
Benzene, 1-bromo-2-(trifluoromethyl)-
CID 9806
4-Bromostyrene
CID 16263
alpha-Bromostyrene
CID 66828
4-Bromo-2-fluorobenzyl bromide
CID 2733660
2-Bromostyrene
CID 16264
1-Bromo-3,5-bis(trifluoromethyl)benzene
CID 67602
Benzene, 1-bromo-3-(trifluoromethyl)-
CID 9817

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).