2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane

C7H12F2O2 — CID 89080861

IUPAC2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane
SMILESCC(C)C1OC(F)(F)OC1C
InChIInChI=1S/C7H12F2O2/c1-4(2)6-5(3)10-7(8,9)11-6/h4-6H,1-3H3
InChIKeyDKBNPPHCICAOHC-UHFFFAOYSA-N
MW166.17 g/mol
LogP2.00
Rot. Bonds1

About 2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane

2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane (PubChem CID 89080861) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane
PubChem CID89080861
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane
SMILESCC(C)C1OC(F)(F)OC1C
InChIInChI=1S/C7H12F2O2/c1-4(2)6-5(3)10-7(8,9)11-6/h4-6H,1-3H3
InChIKeyDKBNPPHCICAOHC-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane 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-Difluoro-4-propyl-1,3-dioxolane
CID 18923918
4-Ethyl-2,2-difluoro-1,3-dioxolane
CID 18923913
4-(2,2-Difluorocyclopropyl)-1,3-dioxolane
CID 90691833
2,2,4-Trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane
CID 90715762
2,2,4,5-Tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane
CID 90981327
2,2,4-Trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane
CID 91583322
4-Ethyl-4-methyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
CID 117849916
4,5-Ditert-butyl-2,2-difluoro-1,3-dioxolane
CID 118300586
4-Fluoro-2-methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-4-(trifluoromethyl)-1,3-dioxolane
CID 122595453
4-Fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane
CID 122595454
4-Ethyl-2,2-difluoro-5-methyl-1,3-dioxolane
CID 122705349
2-Methyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane
CID 126550420

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane?
The IUPAC name of 2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane (CID 89080861) is 2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane is CC(C)C1OC(F)(F)OC1C.
What is the InChIKey of 2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane?
The InChIKey is DKBNPPHCICAOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-4(2)6-5(3)10-7(8,9)11-6/h4-6H,1-3H3.
What are the key properties of 2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane?
2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane has a molecular weight of 166.17 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methyl-5-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 89080861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).