3-(2,2-difluoroethyl)oxolane

C6H10F2O — CID 141160631

IUPAC3-(2,2-difluoroethyl)oxolane
SMILESFC(F)CC1CCOC1
InChIInChI=1S/C6H10F2O/c7-6(8)3-5-1-2-9-4-5/h5-6H,1-4H2
InChIKeyKODKXWBGJIJYPG-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.68
Rot. Bonds2

About 3-(2,2-difluoroethyl)oxolane

3-(2,2-difluoroethyl)oxolane (PubChem CID 141160631) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)oxolane.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)oxolane
PubChem CID141160631
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name3-(2,2-difluoroethyl)oxolane
SMILESFC(F)CC1CCOC1
InChIInChI=1S/C6H10F2O/c7-6(8)3-5-1-2-9-4-5/h5-6H,1-4H2
InChIKeyKODKXWBGJIJYPG-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Trifluoromethyl)tetrahydro-2H-pyran
CID 54105449
2H-Pyran, 4-(difluoromethyl)tetrahydro-
CID 97890136
2,3-Bis(fluoromethyl)oxolane
CID 21301298
2-Fluoro-3-(fluoromethyl)oxolane
CID 21357108
3-Trifluoromethyltetrahydrofuran
CID 54113663
3-Ethyl-3,4-difluorooxolane
CID 58864056
3-Ethyl-3-fluorooxolane
CID 59060264
4,4-Difluoro-2,3-dimethyloxolane
CID 67977154
2,3-Difluoro-2,3-bis(trifluoromethyl)oxolane
CID 73057417
2,3-Difluoro-4,5-bis(trifluoromethyl)oxolane
CID 88467258
2,2-Difluoro-1-methoxy-3-methylpentane
CID 89321251
4-(2,2,2-Trifluoroethyl)oxane
CID 116932207

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)oxolane?
The IUPAC name of 3-(2,2-difluoroethyl)oxolane (CID 141160631) is 3-(2,2-difluoroethyl)oxolane.
What is the SMILES notation for 3-(2,2-difluoroethyl)oxolane?
The canonical SMILES for 3-(2,2-difluoroethyl)oxolane is FC(F)CC1CCOC1.
What is the InChIKey of 3-(2,2-difluoroethyl)oxolane?
The InChIKey is KODKXWBGJIJYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c7-6(8)3-5-1-2-9-4-5/h5-6H,1-4H2.
What are the key properties of 3-(2,2-difluoroethyl)oxolane?
3-(2,2-difluoroethyl)oxolane has a molecular weight of 136.14 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)oxolane is sourced from PubChem (CID 141160631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).