3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol

C6H7F5O2 — CID 59302174

IUPAC3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol
SMILESCC1COC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C6H7F5O2/c1-3-2-13-5(12,4(3,7)8)6(9,10)11/h3,12H,2H2,1H3
InChIKeyYXCHNXVLSLMOLP-UHFFFAOYSA-N
MW206.11 g/mol
LogP1.54
Rot. Bonds

About 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol

3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol (PubChem CID 59302174) has the molecular formula C6H7F5O2 and a molecular weight of 206.11 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol
PubChem CID59302174
Molecular FormulaC6H7F5O2
Molecular Weight206.11 g/mol
Exact Mass206.04
IUPAC Name3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol
SMILESCC1COC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C6H7F5O2/c1-3-2-13-5(12,4(3,7)8)6(9,10)11/h3,12H,2H2,1H3
InChIKeyYXCHNXVLSLMOLP-UHFFFAOYSA-N
XLogP1.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol?
The IUPAC name of 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol (CID 59302174) is 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol.
What is the SMILES notation for 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol?
The canonical SMILES for 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol is CC1COC(O)(C(F)(F)F)C1(F)F.
What is the InChIKey of 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol?
The InChIKey is YXCHNXVLSLMOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O2/c1-3-2-13-5(12,4(3,7)8)6(9,10)11/h3,12H,2H2,1H3.
What are the key properties of 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol?
3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol has a molecular weight of 206.11 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol is sourced from PubChem (CID 59302174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).