2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene

C8H7BrClF — CID 2773679

IUPAC2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(CBr)c1Cl
InChIInChI=1S/C8H7BrClF/c1-5-2-3-7(11)6(4-9)8(5)10/h2-3H,4H2,1H3
InChIKeyVAMCJPJZOSMZGT-UHFFFAOYSA-N
MW237.50 g/mol
LogP3.68
Rot. Bonds1

About 2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene

2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene (PubChem CID 2773679) has the molecular formula C8H7BrClF and a molecular weight of 237.50 g/mol. Its IUPAC name is 2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene
PubChem CID2773679
Molecular FormulaC8H7BrClF
Molecular Weight237.50 g/mol
Exact Mass235.94
IUPAC Name2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(CBr)c1Cl
InChIInChI=1S/C8H7BrClF/c1-5-2-3-7(11)6(4-9)8(5)10/h2-3H,4H2,1H3
InChIKeyVAMCJPJZOSMZGT-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene?
The IUPAC name of 2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene (CID 2773679) is 2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene?
The canonical SMILES for 2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene is Cc1ccc(F)c(CBr)c1Cl.
What is the InChIKey of 2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene?
The InChIKey is VAMCJPJZOSMZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF/c1-5-2-3-7(11)6(4-9)8(5)10/h2-3H,4H2,1H3.
What are the key properties of 2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene?
2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene has a molecular weight of 237.50 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-chloro-1-fluoro-4-methylbenzene is sourced from PubChem (CID 2773679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).