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

C9H10BrF — CID 91117287

IUPAC1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene
SMILESCc1c(F)ccc(CBr)c1C
InChIInChI=1S/C9H10BrF/c1-6-7(2)9(11)4-3-8(6)5-10/h3-4H,5H2,1-2H3
InChIKeyHGLRKMHPGSRTQS-UHFFFAOYSA-N
MW217.08 g/mol
LogP3.34
Rot. Bonds1

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

1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene (PubChem CID 91117287) has the molecular formula C9H10BrF and a molecular weight of 217.08 g/mol. Its IUPAC name is 1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene
PubChem CID91117287
Molecular FormulaC9H10BrF
Molecular Weight217.08 g/mol
Exact Mass215.99
IUPAC Name1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene
SMILESCc1c(F)ccc(CBr)c1C
InChIInChI=1S/C9H10BrF/c1-6-7(2)9(11)4-3-8(6)5-10/h3-4H,5H2,1-2H3
InChIKeyHGLRKMHPGSRTQS-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

1,2,3-Trimethylbenzene
CID 10686
Phenethyl bromide
CID 7666
m-Xylyl bromide
CID 12099
o-Xylyl bromide
CID 6992
(1-Bromoethyl)benzene
CID 11454
1,2-Bis(dibromomethyl)benzene
CID 83234
Benzene, 1,3-bis(bromomethyl)-
CID 69373
Triethylbenzene
CID 39149
3-Fluoro-o-xylene
CID 96489
o-Bis(bromomethyl)benzene
CID 66665
3-Ethyl-o-xylene
CID 13621
2-Ethyl-m-xylene
CID 17877

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene?
The IUPAC name of 1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene (CID 91117287) is 1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene.
What is the SMILES notation for 1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene?
The canonical SMILES for 1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene is Cc1c(F)ccc(CBr)c1C.
What is the InChIKey of 1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene?
The InChIKey is HGLRKMHPGSRTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF/c1-6-7(2)9(11)4-3-8(6)5-10/h3-4H,5H2,1-2H3.
What are the key properties of 1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene?
1-(bromomethyl)-4-fluoro-2,3-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)-4-fluoro-2,3-dimethylbenzene is sourced from PubChem (CID 91117287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).