2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene

C10H10BrF3 — CID 106880010

IUPAC2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene
SMILESCc1cc(F)cc(C)c1C(Br)C(F)F
InChIInChI=1S/C10H10BrF3/c1-5-3-7(12)4-6(2)8(5)9(11)10(13)14/h3-4,9-10H,1-2H3
InChIKeySWXILZQMHKPBCC-UHFFFAOYSA-N
MW267.09 g/mol
LogP4.14
Rot. Bonds2

About 2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene

2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene (PubChem CID 106880010) has the molecular formula C10H10BrF3 and a molecular weight of 267.09 g/mol. Its IUPAC name is 2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene
PubChem CID106880010
Molecular FormulaC10H10BrF3
Molecular Weight267.09 g/mol
Exact Mass265.99
IUPAC Name2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene
SMILESCc1cc(F)cc(C)c1C(Br)C(F)F
InChIInChI=1S/C10H10BrF3/c1-5-3-7(12)4-6(2)8(5)9(11)10(13)14/h3-4,9-10H,1-2H3
InChIKeySWXILZQMHKPBCC-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bromo-3,3-dimethylbutyl)-5-fluoro-1,3-dimethylbenzene
CID 106880046
1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine
CID 106877205
(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106880220
2-[bromo-(4-fluoro-2-iodophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 114029530
2-[bromo-(4-propan-2-ylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880016
2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880012
2-[bromo-(2-bromo-5-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879985
2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879999
2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880040
2-[bromo-(2-chloro-4-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879876
(4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879459
1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene?
The IUPAC name of 2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene (CID 106880010) is 2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene is Cc1cc(F)cc(C)c1C(Br)C(F)F.
What is the InChIKey of 2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene?
The InChIKey is SWXILZQMHKPBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3/c1-5-3-7(12)4-6(2)8(5)9(11)10(13)14/h3-4,9-10H,1-2H3.
What are the key properties of 2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene?
2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene has a molecular weight of 267.09 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 106880010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).