4-(2,2-difluoropropyl)-2,2-dimethyloxolane

C9H16F2O — CID 143114832

IUPAC4-(2,2-difluoropropyl)-2,2-dimethyloxolane
SMILESCC(F)(F)CC1COC(C)(C)C1
InChIInChI=1S/C9H16F2O/c1-8(2)4-7(6-12-8)5-9(3,10)11/h7H,4-6H2,1-3H3
InChIKeyWWGUVIDGVXBIID-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.85
Rot. Bonds2

About 4-(2,2-difluoropropyl)-2,2-dimethyloxolane

4-(2,2-difluoropropyl)-2,2-dimethyloxolane (PubChem CID 143114832) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 4-(2,2-difluoropropyl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name4-(2,2-difluoropropyl)-2,2-dimethyloxolane
PubChem CID143114832
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name4-(2,2-difluoropropyl)-2,2-dimethyloxolane
SMILESCC(F)(F)CC1COC(C)(C)C1
InChIInChI=1S/C9H16F2O/c1-8(2)4-7(6-12-8)5-9(3,10)11/h7H,4-6H2,1-3H3
InChIKeyWWGUVIDGVXBIID-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(3S)-5,5-dimethyloxolan-3-yl]methanol
CID 10796767
2,2-dimethyl-4-(nitrosomethyl)oxolane
CID 163951788
(5,5-dimethyloxolan-3-yl)methanesulfonyl chloride
CID 131172408
(4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane
CID 175625697
(4S)-4-tert-butyl-2,2-dimethyloxolane
CID 59883974
O-[(5,5-dimethyloxolan-3-yl)methyl] propanethioate
CID 167102790
(5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate
CID 163450308
2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine
CID 919149
3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol
CID 91440624
(2,2-dimethyloxan-4-yl)methanamine
CID 13202183
1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane
CID 138719626
(5-amino-2,2-dimethyloxan-4-yl)methanol
CID 162343129

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropyl)-2,2-dimethyloxolane?
The IUPAC name of 4-(2,2-difluoropropyl)-2,2-dimethyloxolane (CID 143114832) is 4-(2,2-difluoropropyl)-2,2-dimethyloxolane.
What is the SMILES notation for 4-(2,2-difluoropropyl)-2,2-dimethyloxolane?
The canonical SMILES for 4-(2,2-difluoropropyl)-2,2-dimethyloxolane is CC(F)(F)CC1COC(C)(C)C1.
What is the InChIKey of 4-(2,2-difluoropropyl)-2,2-dimethyloxolane?
The InChIKey is WWGUVIDGVXBIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-8(2)4-7(6-12-8)5-9(3,10)11/h7H,4-6H2,1-3H3.
What are the key properties of 4-(2,2-difluoropropyl)-2,2-dimethyloxolane?
4-(2,2-difluoropropyl)-2,2-dimethyloxolane has a molecular weight of 178.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropyl)-2,2-dimethyloxolane is sourced from PubChem (CID 143114832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).