3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol

C6H7F5O3 — CID 59602250

IUPAC3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol
SMILESCC1(O)COC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C6H7F5O3/c1-3(12)2-14-5(13,4(3,7)8)6(9,10)11/h12-13H,2H2,1H3
InChIKeyYAMVDODFOHADKH-UHFFFAOYSA-N
MW222.11 g/mol
LogP0.65
Rot. Bonds

About 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol

3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol (PubChem CID 59602250) has the molecular formula C6H7F5O3 and a molecular weight of 222.11 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol
PubChem CID59602250
Molecular FormulaC6H7F5O3
Molecular Weight222.11 g/mol
Exact Mass222.03
IUPAC Name3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol
SMILESCC1(O)COC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C6H7F5O3/c1-3(12)2-14-5(13,4(3,7)8)6(9,10)11/h12-13H,2H2,1H3
InChIKeyYAMVDODFOHADKH-UHFFFAOYSA-N
XLogP0.65
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol?
The IUPAC name of 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol (CID 59602250) is 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol.
What is the SMILES notation for 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol?
The canonical SMILES for 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol is CC1(O)COC(O)(C(F)(F)F)C1(F)F.
What is the InChIKey of 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol?
The InChIKey is YAMVDODFOHADKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O3/c1-3(12)2-14-5(13,4(3,7)8)6(9,10)11/h12-13H,2H2,1H3.
What are the key properties of 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol?
3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol has a molecular weight of 222.11 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolane-2,4-diol is sourced from PubChem (CID 59602250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).