2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane

C11H20F2O — CID 71126485

IUPAC2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane
SMILESCCC(C)(C)C(F)(F)C1OCCC1C
InChIInChI=1S/C11H20F2O/c1-5-10(3,4)11(12,13)9-8(2)6-7-14-9/h8-9H,5-7H2,1-4H3
InChIKeyMWJSDZGRXMMTFI-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.48
Rot. Bonds3

About 2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane

2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane (PubChem CID 71126485) has the molecular formula C11H20F2O and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane.

Molecular Properties

Compound Name2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane
PubChem CID71126485
Molecular FormulaC11H20F2O
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane
SMILESCCC(C)(C)C(F)(F)C1OCCC1C
InChIInChI=1S/C11H20F2O/c1-5-10(3,4)11(12,13)9-8(2)6-7-14-9/h8-9H,5-7H2,1-4H3
InChIKeyMWJSDZGRXMMTFI-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane 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 2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane?
The IUPAC name of 2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane (CID 71126485) is 2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane.
What is the SMILES notation for 2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane?
The canonical SMILES for 2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane is CCC(C)(C)C(F)(F)C1OCCC1C.
What is the InChIKey of 2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane?
The InChIKey is MWJSDZGRXMMTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O/c1-5-10(3,4)11(12,13)9-8(2)6-7-14-9/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane?
2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane has a molecular weight of 206.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2,2-dimethylbutyl)-3-methyloxolane is sourced from PubChem (CID 71126485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).