2,2-difluoro-3-propan-2-yloxolane;ethane

C9H18F2O — CID 170792272

IUPAC2,2-difluoro-3-propan-2-yloxolane;ethane
SMILESCC.CC(C)C1CCOC1(F)F
InChIInChI=1S/C7H12F2O.C2H6/c1-5(2)6-3-4-10-7(6,8)9;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyJRGJFMVSKQEXTJ-UHFFFAOYSA-N
MW180.24 g/mol
LogP3.30
Rot. Bonds1

About 2,2-difluoro-3-propan-2-yloxolane;ethane

2,2-difluoro-3-propan-2-yloxolane;ethane (PubChem CID 170792272) has the molecular formula C9H18F2O and a molecular weight of 180.24 g/mol. Its IUPAC name is 2,2-difluoro-3-propan-2-yloxolane;ethane.

Molecular Properties

Compound Name2,2-difluoro-3-propan-2-yloxolane;ethane
PubChem CID170792272
Molecular FormulaC9H18F2O
Molecular Weight180.24 g/mol
Exact Mass180.13
IUPAC Name2,2-difluoro-3-propan-2-yloxolane;ethane
SMILESCC.CC(C)C1CCOC1(F)F
InChIInChI=1S/C7H12F2O.C2H6/c1-5(2)6-3-4-10-7(6,8)9;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyJRGJFMVSKQEXTJ-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-3-propan-2-yloxolane;ethane 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

(3S)-2,2-difluoro-3-propan-2-yloxyoxolane
CID 170792317
8-propan-2-yl-4-oxaspiro[2.5]octane
CID 176797220
5-propan-2-yl-1-oxaspiro[3.5]nonane
CID 118613178
4,4-difluoro-3-propan-2-ylpiperidine
CID 84651634
trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol
CID 146559803
3,3-difluoro-4-propan-2-ylpiperidine
CID 58394614
2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol
CID 153486221
ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane
CID 171106643
(3R,5R,6R)-3-methyl-4,6-di(propan-2-yl)-1,9-dioxa-4-azaspiro[4.5]decane
CID 122598537
2,2,3,3-tetrafluoro-1,4-dioxane
CID 12581607
3,3-difluoro-2-propan-2-yloxolane
CID 171518236
2,2-dimethyl-5-propan-2-yl-1,4-oxazepane
CID 106352772

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-propan-2-yloxolane;ethane?
The IUPAC name of 2,2-difluoro-3-propan-2-yloxolane;ethane (CID 170792272) is 2,2-difluoro-3-propan-2-yloxolane;ethane.
What is the SMILES notation for 2,2-difluoro-3-propan-2-yloxolane;ethane?
The canonical SMILES for 2,2-difluoro-3-propan-2-yloxolane;ethane is CC.CC(C)C1CCOC1(F)F.
What is the InChIKey of 2,2-difluoro-3-propan-2-yloxolane;ethane?
The InChIKey is JRGJFMVSKQEXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O.C2H6/c1-5(2)6-3-4-10-7(6,8)9;1-2/h5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of 2,2-difluoro-3-propan-2-yloxolane;ethane?
2,2-difluoro-3-propan-2-yloxolane;ethane has a molecular weight of 180.24 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-propan-2-yloxolane;ethane is sourced from PubChem (CID 170792272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).