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

C9H8F4O2 — CID 58550750

IUPAC2,4-bis(difluoromethoxy)-1-methylbenzene
SMILESCc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C9H8F4O2/c1-5-2-3-6(14-8(10)11)4-7(5)15-9(12)13/h2-4,8-9H,1H3
InChIKeyAHNAMYZDEDJISZ-UHFFFAOYSA-N
MW224.15 g/mol
LogP3.20
Rot. Bonds4

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

2,4-bis(difluoromethoxy)-1-methylbenzene (PubChem CID 58550750) has the molecular formula C9H8F4O2 and a molecular weight of 224.15 g/mol. Its IUPAC name is 2,4-bis(difluoromethoxy)-1-methylbenzene.

Molecular Properties

Compound Name2,4-bis(difluoromethoxy)-1-methylbenzene
PubChem CID58550750
Molecular FormulaC9H8F4O2
Molecular Weight224.15 g/mol
Exact Mass224.05
IUPAC Name2,4-bis(difluoromethoxy)-1-methylbenzene
SMILESCc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C9H8F4O2/c1-5-2-3-6(14-8(10)11)4-7(5)15-9(12)13/h2-4,8-9H,1H3
InChIKeyAHNAMYZDEDJISZ-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

1,4-bis(difluoromethoxy)-2-methylbenzene
CID 71140593
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
CID 142506670
ethyl 3-(difluoromethoxy)-4-methylbenzoate
CID 153338656
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025
2-(difluoromethoxy)-7-methoxynaphthalene
CID 118831620
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene
CID 46311605
1,2-dichloro-4-(difluoromethoxy)-5-methylbenzene
CID 118812254
3-(difluoromethoxy)-4-methylbenzenecarboximidamide
CID 107657251
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-2-methylsulfanylethanamine
CID 60658322

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(difluoromethoxy)-1-methylbenzene?
The IUPAC name of 2,4-bis(difluoromethoxy)-1-methylbenzene (CID 58550750) is 2,4-bis(difluoromethoxy)-1-methylbenzene.
What is the SMILES notation for 2,4-bis(difluoromethoxy)-1-methylbenzene?
The canonical SMILES for 2,4-bis(difluoromethoxy)-1-methylbenzene is Cc1ccc(OC(F)F)cc1OC(F)F.
What is the InChIKey of 2,4-bis(difluoromethoxy)-1-methylbenzene?
The InChIKey is AHNAMYZDEDJISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O2/c1-5-2-3-6(14-8(10)11)4-7(5)15-9(12)13/h2-4,8-9H,1H3.
What are the key properties of 2,4-bis(difluoromethoxy)-1-methylbenzene?
2,4-bis(difluoromethoxy)-1-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 2,4-bis(difluoromethoxy)-1-methylbenzene is sourced from PubChem (CID 58550750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).