1-bromo-4-fluoro-2-methylbenzene;difluoromethane

C8H8BrF3 — CID 160708102

IUPAC1-bromo-4-fluoro-2-methylbenzene;difluoromethane
SMILESCc1cc(F)ccc1Br.FCF
InChIInChI=1S/C7H6BrF.CH2F2/c1-5-4-6(9)2-3-7(5)8;2-1-3/h2-4H,1H3;1H2
InChIKeyRRMNBSGOMDSWMB-UHFFFAOYSA-N
MW241.05 g/mol
LogP3.78
Rot. Bonds

About 1-bromo-4-fluoro-2-methylbenzene;difluoromethane

1-bromo-4-fluoro-2-methylbenzene;difluoromethane (PubChem CID 160708102) has the molecular formula C8H8BrF3 and a molecular weight of 241.05 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-methylbenzene;difluoromethane.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-methylbenzene;difluoromethane
PubChem CID160708102
Molecular FormulaC8H8BrF3
Molecular Weight241.05 g/mol
Exact Mass239.98
IUPAC Name1-bromo-4-fluoro-2-methylbenzene;difluoromethane
SMILESCc1cc(F)ccc1Br.FCF
InChIInChI=1S/C7H6BrF.CH2F2/c1-5-4-6(9)2-3-7(5)8;2-1-3/h2-4H,1H3;1H2
InChIKeyRRMNBSGOMDSWMB-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-fluoro-2-methylbenzene;tert-butyl carbamate
CID 174499911
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine
CID 81472919
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
2-[(4-bromo-3-methylphenoxy)methyl]-5-fluoroaniline
CID 83133849
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
2-[bromo-(2-bromo-5-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879985
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207
2-bromo-6-fluoro-3-methylanthracene;ethane
CID 159320278
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851922
1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
CID 164892527
2-(2-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)-N-methylethanamine
CID 115843230

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2-methylbenzene;difluoromethane?
The IUPAC name of 1-bromo-4-fluoro-2-methylbenzene;difluoromethane (CID 160708102) is 1-bromo-4-fluoro-2-methylbenzene;difluoromethane.
What is the SMILES notation for 1-bromo-4-fluoro-2-methylbenzene;difluoromethane?
The canonical SMILES for 1-bromo-4-fluoro-2-methylbenzene;difluoromethane is Cc1cc(F)ccc1Br.FCF.
What is the InChIKey of 1-bromo-4-fluoro-2-methylbenzene;difluoromethane?
The InChIKey is RRMNBSGOMDSWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF.CH2F2/c1-5-4-6(9)2-3-7(5)8;2-1-3/h2-4H,1H3;1H2.
What are the key properties of 1-bromo-4-fluoro-2-methylbenzene;difluoromethane?
1-bromo-4-fluoro-2-methylbenzene;difluoromethane has a molecular weight of 241.05 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-2-methylbenzene;difluoromethane is sourced from PubChem (CID 160708102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).