1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene

C9H10BrF — CID 131074450

IUPAC1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene
SMILESCc1cc(F)c(C)c(CBr)c1
InChIInChI=1S/C9H10BrF/c1-6-3-8(5-10)7(2)9(11)4-6/h3-4H,5H2,1-2H3
InChIKeyAOYWGALYHDGAQV-UHFFFAOYSA-N
MW217.08 g/mol
LogP3.34
Rot. Bonds1

About 1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene

1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene (PubChem CID 131074450) has the molecular formula C9H10BrF and a molecular weight of 217.08 g/mol. Its IUPAC name is 1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene
PubChem CID131074450
Molecular FormulaC9H10BrF
Molecular Weight217.08 g/mol
Exact Mass215.99
IUPAC Name1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene
SMILESCc1cc(F)c(C)c(CBr)c1
InChIInChI=1S/C9H10BrF/c1-6-3-8(5-10)7(2)9(11)4-6/h3-4H,5H2,1-2H3
InChIKeyAOYWGALYHDGAQV-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

1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene
CID 131118392
3-(bromomethyl)-2,5-dimethylphenol
CID 130953581
CID 144806033
CID 144806033
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
ethane;3-fluoro-2,5-dimethylphenol
CID 142108626
1,3-difluoro-2,5-dimethylbenzene;hexane
CID 144528127
1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene
CID 131118036
1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene
CID 58029447
1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene
CID 91117287
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
CID 84788709
1-(bromomethyl)-2,3-dichloro-5-methylbenzene
CID 130982496
3-fluoro-2,5-dimethylaniline
CID 55289526

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene?
The IUPAC name of 1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene (CID 131074450) is 1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene.
What is the SMILES notation for 1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene?
The canonical SMILES for 1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene is Cc1cc(F)c(C)c(CBr)c1.
What is the InChIKey of 1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene?
The InChIKey is AOYWGALYHDGAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF/c1-6-3-8(5-10)7(2)9(11)4-6/h3-4H,5H2,1-2H3.
What are the key properties of 1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene?
1-(bromomethyl)-3-fluoro-2,5-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 1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene is sourced from PubChem (CID 131074450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).