3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol

C8H11F5O2 — CID 59302180

IUPAC3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol
SMILESCC1C(C)(C)OC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8H11F5O2/c1-4-5(2,3)15-7(14,6(4,9)10)8(11,12)13/h4,14H,1-3H3
InChIKeyVXUIQPKIPOPFCL-UHFFFAOYSA-N
MW234.16 g/mol
LogP2.32
Rot. Bonds

About 3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol

3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol (PubChem CID 59302180) has the molecular formula C8H11F5O2 and a molecular weight of 234.16 g/mol. Its IUPAC name is 3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol
PubChem CID59302180
Molecular FormulaC8H11F5O2
Molecular Weight234.16 g/mol
Exact Mass234.07
IUPAC Name3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol
SMILESCC1C(C)(C)OC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8H11F5O2/c1-4-5(2,3)15-7(14,6(4,9)10)8(11,12)13/h4,14H,1-3H3
InChIKeyVXUIQPKIPOPFCL-UHFFFAOYSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol?
The IUPAC name of 3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol (CID 59302180) is 3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol.
What is the SMILES notation for 3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol?
The canonical SMILES for 3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol is CC1C(C)(C)OC(O)(C(F)(F)F)C1(F)F.
What is the InChIKey of 3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol?
The InChIKey is VXUIQPKIPOPFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5O2/c1-4-5(2,3)15-7(14,6(4,9)10)8(11,12)13/h4,14H,1-3H3.
What are the key properties of 3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol?
3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol has a molecular weight of 234.16 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4,5,5-trimethyl-2-(trifluoromethyl)oxolan-2-ol is sourced from PubChem (CID 59302180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).