1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene

C8H6BrClF2O — CID 164895658

IUPAC1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene
SMILESCc1ccc(Br)c(OC(F)F)c1Cl
InChIInChI=1S/C8H6BrClF2O/c1-4-2-3-5(9)7(6(4)10)13-8(11)12/h2-3,8H,1H3
InChIKeyPGWFJSQPPLCJMP-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.01
Rot. Bonds2

About 1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene

1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene (PubChem CID 164895658) has the molecular formula C8H6BrClF2O and a molecular weight of 271.49 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene
PubChem CID164895658
Molecular FormulaC8H6BrClF2O
Molecular Weight271.49 g/mol
Exact Mass269.93
IUPAC Name1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene
SMILESCc1ccc(Br)c(OC(F)F)c1Cl
InChIInChI=1S/C8H6BrClF2O/c1-4-2-3-5(9)7(6(4)10)13-8(11)12/h2-3,8H,1H3
InChIKeyPGWFJSQPPLCJMP-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene
CID 131188890
ethyl 4-bromo-2-chloro-3-(difluoromethoxy)benzoate
CID 171006653
methyl 3-bromo-2-(difluoromethoxy)-6-methylbenzoate
CID 171010650
1,4-dibromo-2-(difluoromethoxy)-3-iodobenzene
CID 118813499
1-[2-chloro-3-(difluoromethoxy)-4-methylphenyl]ethanone
CID 171006355
1,3-dibromo-4-(chloromethyl)-2-(difluoromethoxy)benzene
CID 118990809
1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene
CID 139609334
3-chloro-2-(difluoromethoxy)-1-methyl-4-nitrobenzene
CID 134625946
1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene
CID 171004207
1-chloro-2-(difluoromethoxy)-4-methyl-3-nitrobenzene
CID 118811182
2-(difluoromethoxy)-3,4-dimethylphenol
CID 131190309
1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene
CID 118820826

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene?
The IUPAC name of 1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene (CID 164895658) is 1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene.
What is the SMILES notation for 1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene?
The canonical SMILES for 1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene is Cc1ccc(Br)c(OC(F)F)c1Cl.
What is the InChIKey of 1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene?
The InChIKey is PGWFJSQPPLCJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF2O/c1-4-2-3-5(9)7(6(4)10)13-8(11)12/h2-3,8H,1H3.
What are the key properties of 1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene?
1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene has a molecular weight of 271.49 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene is sourced from PubChem (CID 164895658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).