1-bromo-3,5-difluoro-2-prop-2-enylbenzene

C9H7BrF2 — CID 176770194

IUPAC1-bromo-3,5-difluoro-2-prop-2-enylbenzene
SMILESC=CCc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H7BrF2/c1-2-3-7-8(10)4-6(11)5-9(7)12/h2,4-5H,1,3H2
InChIKeyZXOUIZSWYMZMEQ-UHFFFAOYSA-N
MW233.05 g/mol
LogP3.46
Rot. Bonds2

About 1-bromo-3,5-difluoro-2-prop-2-enylbenzene

1-bromo-3,5-difluoro-2-prop-2-enylbenzene (PubChem CID 176770194) has the molecular formula C9H7BrF2 and a molecular weight of 233.05 g/mol. Its IUPAC name is 1-bromo-3,5-difluoro-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-bromo-3,5-difluoro-2-prop-2-enylbenzene
PubChem CID176770194
Molecular FormulaC9H7BrF2
Molecular Weight233.05 g/mol
Exact Mass231.97
IUPAC Name1-bromo-3,5-difluoro-2-prop-2-enylbenzene
SMILESC=CCc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H7BrF2/c1-2-3-7-8(10)4-6(11)5-9(7)12/h2,4-5H,1,3H2
InChIKeyZXOUIZSWYMZMEQ-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,4,5-tetrafluoro-3-prop-2-enylbenzene
CID 12944006
(2,6-dibromo-4-fluorophenyl)methanol
CID 58043943
1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene
CID 118308830
3,5-difluoro-4-prop-2-enylbenzoic acid
CID 13075320
methyl 2-(2-bromo-4,6-difluorophenyl)acetate
CID 130729909
2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one
CID 62395711
2-bromo-1-(2-bromo-4,6-difluorophenyl)-4-methylpentan-3-one
CID 62395712
4-bromo-2-fluoro-1-prop-2-enylbenzene
CID 24722089
2-bromo-4,6-difluorobenzenethiol
CID 50998009
3-bromo-2-(bromomethyl)-5-fluorophenol
CID 119014006
3-bromo-5-fluoro-2-(hydroxymethyl)phenol
CID 119021874
ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate
CID 83197948

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-difluoro-2-prop-2-enylbenzene?
The IUPAC name of 1-bromo-3,5-difluoro-2-prop-2-enylbenzene (CID 176770194) is 1-bromo-3,5-difluoro-2-prop-2-enylbenzene.
What is the SMILES notation for 1-bromo-3,5-difluoro-2-prop-2-enylbenzene?
The canonical SMILES for 1-bromo-3,5-difluoro-2-prop-2-enylbenzene is C=CCc1c(F)cc(F)cc1Br.
What is the InChIKey of 1-bromo-3,5-difluoro-2-prop-2-enylbenzene?
The InChIKey is ZXOUIZSWYMZMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2/c1-2-3-7-8(10)4-6(11)5-9(7)12/h2,4-5H,1,3H2.
What are the key properties of 1-bromo-3,5-difluoro-2-prop-2-enylbenzene?
1-bromo-3,5-difluoro-2-prop-2-enylbenzene has a molecular weight of 233.05 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-difluoro-2-prop-2-enylbenzene is sourced from PubChem (CID 176770194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).