1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene

C11H14F2O — CID 167265242

IUPAC1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene
SMILESCOCC(F)(F)c1cccc(C)c1C
InChIInChI=1S/C11H14F2O/c1-8-5-4-6-10(9(8)2)11(12,13)7-14-3/h4-6H,7H2,1-3H3
InChIKeyOYXLLRZTHBJPKX-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.04
Rot. Bonds3

About 1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene

1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene (PubChem CID 167265242) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene
PubChem CID167265242
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene
SMILESCOCC(F)(F)c1cccc(C)c1C
InChIInChI=1S/C11H14F2O/c1-8-5-4-6-10(9(8)2)11(12,13)7-14-3/h4-6H,7H2,1-3H3
InChIKeyOYXLLRZTHBJPKX-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(1,1-difluoro-2-methoxyethyl)-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

Related Compounds

2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 58543603
1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene
CID 58543721
1-[3-(1,1-difluoro-2-methoxyethyl)-2-fluorophenyl]ethanamine;hydrochloride
CID 166147481
3-(2,3-dimethylphenyl)pentan-3-ol
CID 62549371
1-[1-chloro-2-(chloromethyl)-3-methoxypropan-2-yl]-2-methylbenzene
CID 103985303
2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine
CID 112566318
1,2-dimethyl-3-(trifluoromethyl)benzene;1,4-dimethyl-2-(trifluoromethyl)benzene;ethane
CID 165397677
1-(1,1-difluoropropyl)-3-fluoro-2-methylbenzene
CID 123800837
2-(2,3-dimethylphenyl)propan-2-amine;ethane
CID 170725770
(E)-N-tert-butylsulfanyl-1-[3-(1,1-difluoro-2-methoxyethyl)-2-fluorophenyl]ethanimine
CID 166147462
1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene
CID 143472614
1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene
CID 174418376

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene?
The IUPAC name of 1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene (CID 167265242) is 1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene.
What is the SMILES notation for 1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene?
The canonical SMILES for 1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene is COCC(F)(F)c1cccc(C)c1C.
What is the InChIKey of 1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene?
The InChIKey is OYXLLRZTHBJPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-8-5-4-6-10(9(8)2)11(12,13)7-14-3/h4-6H,7H2,1-3H3.
What are the key properties of 1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene?
1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene has a molecular weight of 200.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2-methoxyethyl)-2,3-dimethylbenzene is sourced from PubChem (CID 167265242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).