2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene

C9H10BrF — CID 130925987

IUPAC2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene
SMILESCc1ccc(F)c(CBr)c1C
InChIInChI=1S/C9H10BrF/c1-6-3-4-9(11)8(5-10)7(6)2/h3-4H,5H2,1-2H3
InChIKeyVLSYDIVHUREVAU-UHFFFAOYSA-N
MW217.08 g/mol
LogP3.34
Rot. Bonds1

About 2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene

2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene (PubChem CID 130925987) has the molecular formula C9H10BrF and a molecular weight of 217.08 g/mol. Its IUPAC name is 2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene
PubChem CID130925987
Molecular FormulaC9H10BrF
Molecular Weight217.08 g/mol
Exact Mass215.99
IUPAC Name2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene
SMILESCc1ccc(F)c(CBr)c1C
InChIInChI=1S/C9H10BrF/c1-6-3-4-9(11)8(5-10)7(6)2/h3-4H,5H2,1-2H3
InChIKeyVLSYDIVHUREVAU-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.08
LogP ≤ 53.34
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

3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene
CID 130056287
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene
CID 131575794
2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene
CID 82822097
2-(bromomethyl)-3,4-dimethylbenzonitrile
CID 171013334
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene
CID 91117287
ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene
CID 144503009
1-bromo-3-(bromomethyl)-2,4-dimethylbenzene
CID 131618742
CID 160720052
CID 160720052
3-(bromomethyl)-1-iodo-2,4-dimethylbenzene
CID 171015860
2-(bromomethyl)-1,3-difluorobenzene;ethene
CID 178142068

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene?
The IUPAC name of 2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene (CID 130925987) is 2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene.
What is the SMILES notation for 2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene?
The canonical SMILES for 2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene is Cc1ccc(F)c(CBr)c1C.
What is the InChIKey of 2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene?
The InChIKey is VLSYDIVHUREVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF/c1-6-3-4-9(11)8(5-10)7(6)2/h3-4H,5H2,1-2H3.
What are the key properties of 2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene?
2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene has a molecular weight of 217.08 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene is sourced from PubChem (CID 130925987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).