1-bromo-4-(3,3-difluoroprop-1-en-2-yl)benzene

C9H7BrF2 — CID 69270684

IUPAC1-bromo-4-(3,3-difluoroprop-1-en-2-yl)benzene
SMILESC=C(c1ccc(Br)cc1)C(F)F
InChIInChI=1S/C9H7BrF2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-5,9H,1H2
InChIKeyPOFBPTWDCXCNAZ-UHFFFAOYSA-N
MW233.06 g/mol
LogP3.73
Rot. Bonds2

About 1-bromo-4-(3,3-difluoroprop-1-en-2-yl)benzene

1-bromo-4-(3,3-difluoroprop-1-en-2-yl)benzene (PubChem CID 69270684) has the molecular formula C9H7BrF2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 1-bromo-4-(3,3-difluoroprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3,3-difluoroprop-1-en-2-yl)benzene
PubChem CID69270684
Molecular FormulaC9H7BrF2
Molecular Weight233.06 g/mol
Exact Mass231.97
IUPAC Name1-bromo-4-(3,3-difluoroprop-1-en-2-yl)benzene
SMILESC=C(c1ccc(Br)cc1)C(F)F
InChIInChI=1S/C9H7BrF2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-5,9H,1H2
InChIKeyPOFBPTWDCXCNAZ-UHFFFAOYSA-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

4-Bromotoluene
CID 7805
4-Bromobiphenyl
CID 7101
4,4'-Dibromobiphenyl
CID 7110
4-Bromobenzyl bromide
CID 68527
1-Bromo-4-ethylbenzene
CID 15313
4-Bromostyrene
CID 16263
Benzeneacetonitrile, 4-bromo-
CID 27914
Benzene, 1-bromo-2-(trifluoromethyl)-
CID 9806
4-Bromo-2-fluorobenzyl bromide
CID 2733660
alpha-Bromostyrene
CID 66828
1-Bromo-4-propylbenzene
CID 136374
2-Bromostyrene
CID 16264

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3,3-difluoroprop-1-en-2-yl)benzene?
The IUPAC name of 1-bromo-4-(3,3-difluoroprop-1-en-2-yl)benzene (CID 69270684) is 1-bromo-4-(3,3-difluoroprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-bromo-4-(3,3-difluoroprop-1-en-2-yl)benzene?
The canonical SMILES for 1-bromo-4-(3,3-difluoroprop-1-en-2-yl)benzene is C=C(c1ccc(Br)cc1)C(F)F.
What is the InChIKey of 1-bromo-4-(3,3-difluoroprop-1-en-2-yl)benzene?
The InChIKey is POFBPTWDCXCNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-5,9H,1H2.
What are the key properties of 1-bromo-4-(3,3-difluoroprop-1-en-2-yl)benzene?
1-bromo-4-(3,3-difluoroprop-1-en-2-yl)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-(3,3-difluoroprop-1-en-2-yl)benzene is sourced from PubChem (CID 69270684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).