1,4-bis(difluoromethoxy)-2-methylbenzene

C9H8F4O2 — CID 71140593

IUPAC1,4-bis(difluoromethoxy)-2-methylbenzene
SMILESCc1cc(OC(F)F)ccc1OC(F)F
InChIInChI=1S/C9H8F4O2/c1-5-4-6(14-8(10)11)2-3-7(5)15-9(12)13/h2-4,8-9H,1H3
InChIKeyUFLJTBKOXWAEHS-UHFFFAOYSA-N
MW224.15 g/mol
LogP3.20
Rot. Bonds4

About 1,4-bis(difluoromethoxy)-2-methylbenzene

1,4-bis(difluoromethoxy)-2-methylbenzene (PubChem CID 71140593) has the molecular formula C9H8F4O2 and a molecular weight of 224.15 g/mol. Its IUPAC name is 1,4-bis(difluoromethoxy)-2-methylbenzene.

Molecular Properties

Compound Name1,4-bis(difluoromethoxy)-2-methylbenzene
PubChem CID71140593
Molecular FormulaC9H8F4O2
Molecular Weight224.15 g/mol
Exact Mass224.05
IUPAC Name1,4-bis(difluoromethoxy)-2-methylbenzene
SMILESCc1cc(OC(F)F)ccc1OC(F)F
InChIInChI=1S/C9H8F4O2/c1-5-4-6(14-8(10)11)2-3-7(5)15-9(12)13/h2-4,8-9H,1H3
InChIKeyUFLJTBKOXWAEHS-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(difluoromethoxy)-1-methylbenzene
CID 58550750
1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
CID 142506670
1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene
CID 130358860
2-bromo-1-[4-(difluoromethoxy)-3-methylphenyl]propan-1-one
CID 135743391
2-[4-(difluoromethoxy)-2-methylphenyl]propanal
CID 135743389
1-(difluoromethoxy)-2-methyl-4-(2-methylsulfanylethynyl)benzene
CID 153339170
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
4-(difluoromethoxy)-2,6-dimethylaniline;hydrochloride
CID 117071645
1,2-dichloro-4-(difluoromethoxy)-5-methylbenzene
CID 118812254
1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
CID 131525559
2-[4-(difluoromethoxy)-3-methylphenyl]ethynyl-methyl-methylidene-λ4-sulfane
CID 153339147

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(difluoromethoxy)-2-methylbenzene?
The IUPAC name of 1,4-bis(difluoromethoxy)-2-methylbenzene (CID 71140593) is 1,4-bis(difluoromethoxy)-2-methylbenzene.
What is the SMILES notation for 1,4-bis(difluoromethoxy)-2-methylbenzene?
The canonical SMILES for 1,4-bis(difluoromethoxy)-2-methylbenzene is Cc1cc(OC(F)F)ccc1OC(F)F.
What is the InChIKey of 1,4-bis(difluoromethoxy)-2-methylbenzene?
The InChIKey is UFLJTBKOXWAEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O2/c1-5-4-6(14-8(10)11)2-3-7(5)15-9(12)13/h2-4,8-9H,1H3.
What are the key properties of 1,4-bis(difluoromethoxy)-2-methylbenzene?
1,4-bis(difluoromethoxy)-2-methylbenzene has a molecular weight of 224.15 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(difluoromethoxy)-2-methylbenzene is sourced from PubChem (CID 71140593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).