2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene

C12H13BrF2 — CID 102642184

IUPAC2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene
SMILESC=CC(C)(CBr)Cc1c(F)cccc1F
InChIInChI=1S/C12H13BrF2/c1-3-12(2,8-13)7-9-10(14)5-4-6-11(9)15/h3-6H,1,7-8H2,2H3
InChIKeyUGVWHBNOFFUUON-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.09
Rot. Bonds4

About 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene

2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene (PubChem CID 102642184) has the molecular formula C12H13BrF2 and a molecular weight of 275.14 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene
PubChem CID102642184
Molecular FormulaC12H13BrF2
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene
SMILESC=CC(C)(CBr)Cc1c(F)cccc1F
InChIInChI=1S/C12H13BrF2/c1-3-12(2,8-13)7-9-10(14)5-4-6-11(9)15/h3-6H,1,7-8H2,2H3
InChIKeyUGVWHBNOFFUUON-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-dimethylbenzene
CID 102642324
2-bromo-4-[2-(bromomethyl)-2-methylbut-3-enyl]-1-fluorobenzene
CID 102642170
N-[2-[(2-chloro-6-fluorophenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641163
1-bromo-2-[2-(bromomethyl)-2-methylbut-3-enyl]benzene
CID 102642227
2-(bromomethyl)-1,3-difluorobenzene;ethene
CID 178142068
2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-ethylthiophene
CID 102642284
2-[(2-chloro-3-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640347
1-(2,6-difluorophenyl)-2-methylbutan-2-ol
CID 114930976
1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
CID 114930978
1-(2,6-difluorophenyl)-2-phenylpropan-2-ol
CID 114930959
2-[(2-chloro-6-fluorophenyl)methyl]-2-methylbut-3-enoic acid
CID 102639801
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene?
The IUPAC name of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene (CID 102642184) is 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene.
What is the SMILES notation for 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene?
The canonical SMILES for 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene is C=CC(C)(CBr)Cc1c(F)cccc1F.
What is the InChIKey of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene?
The InChIKey is UGVWHBNOFFUUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2/c1-3-12(2,8-13)7-9-10(14)5-4-6-11(9)15/h3-6H,1,7-8H2,2H3.
What are the key properties of 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene?
2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene has a molecular weight of 275.14 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene is sourced from PubChem (CID 102642184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).