1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene

C10H10F4O — CID 58543721

IUPAC1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene
SMILESCc1cccc(C(F)(F)OC(F)F)c1C
InChIInChI=1S/C10H10F4O/c1-6-4-3-5-8(7(6)2)10(13,14)15-9(11)12/h3-5,9H,1-2H3
InChIKeyQNPILMXMDJNZJW-UHFFFAOYSA-N
MW222.18 g/mol
LogP3.59
Rot. Bonds3

About 1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene

1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene (PubChem CID 58543721) has the molecular formula C10H10F4O and a molecular weight of 222.18 g/mol. Its IUPAC name is 1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene
PubChem CID58543721
Molecular FormulaC10H10F4O
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene
SMILESCc1cccc(C(F)(F)OC(F)F)c1C
InChIInChI=1S/C10H10F4O/c1-6-4-3-5-8(7(6)2)10(13,14)15-9(11)12/h3-5,9H,1-2H3
InChIKeyQNPILMXMDJNZJW-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene?
The IUPAC name of 1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene (CID 58543721) is 1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene is Cc1cccc(C(F)(F)OC(F)F)c1C.
What is the InChIKey of 1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene?
The InChIKey is QNPILMXMDJNZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O/c1-6-4-3-5-8(7(6)2)10(13,14)15-9(11)12/h3-5,9H,1-2H3.
What are the key properties of 1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene?
1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene has a molecular weight of 222.18 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene is sourced from PubChem (CID 58543721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).