3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol

C7H9F5O2 — CID 163681686

IUPAC3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol
SMILESCC1(F)CC(C)(F)C(O)(C(F)(F)F)O1
InChIInChI=1S/C7H9F5O2/c1-4(8)3-5(2,9)14-6(4,13)7(10,11)12/h13H,3H2,1-2H3
InChIKeySCQWKFJDZOCGED-UHFFFAOYSA-N
MW220.14 g/mol
LogP2.07
Rot. Bonds

About 3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol

3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol (PubChem CID 163681686) has the molecular formula C7H9F5O2 and a molecular weight of 220.14 g/mol. Its IUPAC name is 3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol
PubChem CID163681686
Molecular FormulaC7H9F5O2
Molecular Weight220.14 g/mol
Exact Mass220.05
IUPAC Name3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol
SMILESCC1(F)CC(C)(F)C(O)(C(F)(F)F)O1
InChIInChI=1S/C7H9F5O2/c1-4(8)3-5(2,9)14-6(4,13)7(10,11)12/h13H,3H2,1-2H3
InChIKeySCQWKFJDZOCGED-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol?
The IUPAC name of 3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol (CID 163681686) is 3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol.
What is the SMILES notation for 3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol?
The canonical SMILES for 3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol is CC1(F)CC(C)(F)C(O)(C(F)(F)F)O1.
What is the InChIKey of 3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol?
The InChIKey is SCQWKFJDZOCGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5O2/c1-4(8)3-5(2,9)14-6(4,13)7(10,11)12/h13H,3H2,1-2H3.
What are the key properties of 3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol?
3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol has a molecular weight of 220.14 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol is sourced from PubChem (CID 163681686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).