2,2-difluoro-4-methyloxolane

C5H8F2O — CID 129270062

IUPAC2,2-difluoro-4-methyloxolane
SMILESCC1COC(F)(F)C1
InChIInChI=1S/C5H8F2O/c1-4-2-5(6,7)8-3-4/h4H,2-3H2,1H3
InChIKeyBBVNXLROTFRHQU-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.64
Rot. Bonds

About 2,2-difluoro-4-methyloxolane

2,2-difluoro-4-methyloxolane (PubChem CID 129270062) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 2,2-difluoro-4-methyloxolane.

Molecular Properties

Compound Name2,2-difluoro-4-methyloxolane
PubChem CID129270062
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name2,2-difluoro-4-methyloxolane
SMILESCC1COC(F)(F)C1
InChIInChI=1S/C5H8F2O/c1-4-2-5(6,7)8-3-4/h4H,2-3H2,1H3
InChIKeyBBVNXLROTFRHQU-UHFFFAOYSA-N
XLogP1.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
(3R)-3-fluoro-3-methyloxolane
CID 169859765
4-Ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
2-Methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane
CID 20793147
1-Ethoxy-1,1-difluoro-2-methylbutane
CID 20802235
1-Ethoxy-1-fluoro-2-(fluoromethyl)butane
CID 21357107
2-Fluoro-3-(fluoromethyl)oxolane
CID 21357108
2-Methyl-1-(4,4,4-trifluorobutoxy)butane
CID 21657863
2-Methyl-1-(3,3,3-trifluoropropoxy)butane
CID 21657872
3-Butoxy-1,1,1-trifluoro-2-methylpropane
CID 22002881
2-(Ethoxymethyl)-1,1,1-trifluorobutane
CID 22002892
2-(Butoxymethyl)-1,1,1-trifluorobutane
CID 22002934

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methyloxolane?
The IUPAC name of 2,2-difluoro-4-methyloxolane (CID 129270062) is 2,2-difluoro-4-methyloxolane.
What is the SMILES notation for 2,2-difluoro-4-methyloxolane?
The canonical SMILES for 2,2-difluoro-4-methyloxolane is CC1COC(F)(F)C1.
What is the InChIKey of 2,2-difluoro-4-methyloxolane?
The InChIKey is BBVNXLROTFRHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-4-2-5(6,7)8-3-4/h4H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-4-methyloxolane?
2,2-difluoro-4-methyloxolane has a molecular weight of 122.11 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methyloxolane is sourced from PubChem (CID 129270062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).