1-bromo-2-(difluoromethyl)-3-methylbenzene

C8H7BrF2 — CID 84686328

IUPAC1-bromo-2-(difluoromethyl)-3-methylbenzene
SMILESCc1cccc(Br)c1C(F)F
InChIInChI=1S/C8H7BrF2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,8H,1H3
InChIKeyPCUNSNMWEPDWAS-UHFFFAOYSA-N
MW221.04 g/mol
LogP3.70
Rot. Bonds1

About 1-bromo-2-(difluoromethyl)-3-methylbenzene

1-bromo-2-(difluoromethyl)-3-methylbenzene (PubChem CID 84686328) has the molecular formula C8H7BrF2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 1-bromo-2-(difluoromethyl)-3-methylbenzene.

Molecular Properties

Compound Name1-bromo-2-(difluoromethyl)-3-methylbenzene
PubChem CID84686328
Molecular FormulaC8H7BrF2
Molecular Weight221.04 g/mol
Exact Mass219.97
IUPAC Name1-bromo-2-(difluoromethyl)-3-methylbenzene
SMILESCc1cccc(Br)c1C(F)F
InChIInChI=1S/C8H7BrF2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,8H,1H3
InChIKeyPCUNSNMWEPDWAS-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-bis(difluoromethyl)-1,4-dimethylbenzene
CID 59795341
(1R)-1-(2-bromo-6-methylphenyl)propan-1-amine
CID 130632394
2-amino-2-(2-bromo-6-methylphenyl)ethanol
CID 130062182
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
3-bromo-2-(difluoromethyl)benzoyl bromide
CID 88710629
1-(2,6-dibromophenyl)propane-1,2-diamine
CID 20546210
1-[3-bromo-2-(difluoromethyl)-6-methylphenyl]ethanone
CID 131329067
1-(2-bromo-6-fluorophenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 114886689
1-(2,6-dibromophenyl)ethanol
CID 117104086
1-bromo-2-(1-fluoroethyl)-3-methoxybenzene
CID 84696327
1-bromo-3-(3-chloropropoxy)-2-(difluoromethyl)benzene
CID 129020958

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(difluoromethyl)-3-methylbenzene?
The IUPAC name of 1-bromo-2-(difluoromethyl)-3-methylbenzene (CID 84686328) is 1-bromo-2-(difluoromethyl)-3-methylbenzene.
What is the SMILES notation for 1-bromo-2-(difluoromethyl)-3-methylbenzene?
The canonical SMILES for 1-bromo-2-(difluoromethyl)-3-methylbenzene is Cc1cccc(Br)c1C(F)F.
What is the InChIKey of 1-bromo-2-(difluoromethyl)-3-methylbenzene?
The InChIKey is PCUNSNMWEPDWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,8H,1H3.
What are the key properties of 1-bromo-2-(difluoromethyl)-3-methylbenzene?
1-bromo-2-(difluoromethyl)-3-methylbenzene has a molecular weight of 221.04 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(difluoromethyl)-3-methylbenzene is sourced from PubChem (CID 84686328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).