1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene

C8H6Br2F2O — CID 118820826

IUPAC1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene
SMILESCc1c(OC(F)F)ccc(Br)c1Br
InChIInChI=1S/C8H6Br2F2O/c1-4-6(13-8(11)12)3-2-5(9)7(4)10/h2-3,8H,1H3
InChIKeyKRIHEPFRSSNUHA-UHFFFAOYSA-N
MW315.94 g/mol
LogP4.12
Rot. Bonds2

About 1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene

1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene (PubChem CID 118820826) has the molecular formula C8H6Br2F2O and a molecular weight of 315.94 g/mol. Its IUPAC name is 1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene.

Molecular Properties

Compound Name1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene
PubChem CID118820826
Molecular FormulaC8H6Br2F2O
Molecular Weight315.94 g/mol
Exact Mass313.88
IUPAC Name1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene
SMILESCc1c(OC(F)F)ccc(Br)c1Br
InChIInChI=1S/C8H6Br2F2O/c1-4-6(13-8(11)12)3-2-5(9)7(4)10/h2-3,8H,1H3
InChIKeyKRIHEPFRSSNUHA-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.94
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 118837715
1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119024321
1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene
CID 131188890
methyl 2,3-dibromo-6-(difluoromethoxy)benzoate
CID 134648331
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188
methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate
CID 134634019
3-bromo-5-(difluoromethoxy)-4-methylpyridine
CID 121227905
4-(difluoromethoxy)-2-fluoro-3-methylbenzoic acid
CID 131290840
2-bromo-6-(difluoromethoxy)-3-methylbenzaldehyde
CID 131351090
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene
CID 118819083
1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene
CID 67463066

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene?
The IUPAC name of 1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene (CID 118820826) is 1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene.
What is the SMILES notation for 1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene?
The canonical SMILES for 1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene is Cc1c(OC(F)F)ccc(Br)c1Br.
What is the InChIKey of 1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene?
The InChIKey is KRIHEPFRSSNUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F2O/c1-4-6(13-8(11)12)3-2-5(9)7(4)10/h2-3,8H,1H3.
What are the key properties of 1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene?
1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene has a molecular weight of 315.94 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene is sourced from PubChem (CID 118820826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).