2,2-difluoro-1-(oxolan-3-yl)ethanol

C6H10F2O2 — CID 80604390

IUPAC2,2-difluoro-1-(oxolan-3-yl)ethanol
SMILESOC(C(F)F)C1CCOC1
InChIInChI=1S/C6H10F2O2/c7-6(8)5(9)4-1-2-10-3-4/h4-6,9H,1-3H2
InChIKeyVVYCCBMCOAPDKF-UHFFFAOYSA-N
MW152.14 g/mol
LogP0.65
Rot. Bonds2

About 2,2-difluoro-1-(oxolan-3-yl)ethanol

2,2-difluoro-1-(oxolan-3-yl)ethanol (PubChem CID 80604390) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is 2,2-difluoro-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(oxolan-3-yl)ethanol
PubChem CID80604390
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name2,2-difluoro-1-(oxolan-3-yl)ethanol
SMILESOC(C(F)F)C1CCOC1
InChIInChI=1S/C6H10F2O2/c7-6(8)5(9)4-1-2-10-3-4/h4-6,9H,1-3H2
InChIKeyVVYCCBMCOAPDKF-UHFFFAOYSA-N
XLogP0.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(oxolan-3-yl)ethanol (CID 80604390) is 2,2-difluoro-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(oxolan-3-yl)ethanol is OC(C(F)F)C1CCOC1.
What is the InChIKey of 2,2-difluoro-1-(oxolan-3-yl)ethanol?
The InChIKey is VVYCCBMCOAPDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2/c7-6(8)5(9)4-1-2-10-3-4/h4-6,9H,1-3H2.
What are the key properties of 2,2-difluoro-1-(oxolan-3-yl)ethanol?
2,2-difluoro-1-(oxolan-3-yl)ethanol has a molecular weight of 152.14 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 80604390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).