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

C7H3F11O2 — CID 89390182

IUPAC3,3-difluoro-2,5,5-tris(trifluoromethyl)oxolan-2-ol
SMILESOC1(C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)CC1(F)F
InChIInChI=1S/C7H3F11O2/c8-3(9)1-2(5(10,11)12,6(13,14)15)20-4(3,19)7(16,17)18/h19H,1H2
InChIKeyYVBAQBMWUWELJQ-UHFFFAOYSA-N
MW328.08 g/mol
LogP3.16
Rot. Bonds

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

3,3-difluoro-2,5,5-tris(trifluoromethyl)oxolan-2-ol (PubChem CID 89390182) has the molecular formula C7H3F11O2 and a molecular weight of 328.08 g/mol. Its IUPAC name is 3,3-difluoro-2,5,5-tris(trifluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-2,5,5-tris(trifluoromethyl)oxolan-2-ol
PubChem CID89390182
Molecular FormulaC7H3F11O2
Molecular Weight328.08 g/mol
Exact Mass328.00
IUPAC Name3,3-difluoro-2,5,5-tris(trifluoromethyl)oxolan-2-ol
SMILESOC1(C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)CC1(F)F
InChIInChI=1S/C7H3F11O2/c8-3(9)1-2(5(10,11)12,6(13,14)15)20-4(3,19)7(16,17)18/h19H,1H2
InChIKeyYVBAQBMWUWELJQ-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.08
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol
CID 59705863
3,3,5,5-Tetrafluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol
CID 72363282
(4S)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol
CID 89271444
4-Ethyl-3,3,5,5-tetrafluoro-2-(trifluoromethyl)oxolan-2-ol
CID 89718879
2-Methyl-5,5-bis(trifluoromethyl)oxolan-2-ol
CID 146493162
3,5-Difluoro-3,5-dimethyl-2-(trifluoromethyl)oxolan-2-ol
CID 163681686

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,5,5-tris(trifluoromethyl)oxolan-2-ol?
The IUPAC name of 3,3-difluoro-2,5,5-tris(trifluoromethyl)oxolan-2-ol (CID 89390182) is 3,3-difluoro-2,5,5-tris(trifluoromethyl)oxolan-2-ol.
What is the SMILES notation for 3,3-difluoro-2,5,5-tris(trifluoromethyl)oxolan-2-ol?
The canonical SMILES for 3,3-difluoro-2,5,5-tris(trifluoromethyl)oxolan-2-ol is OC1(C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)CC1(F)F.
What is the InChIKey of 3,3-difluoro-2,5,5-tris(trifluoromethyl)oxolan-2-ol?
The InChIKey is YVBAQBMWUWELJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11O2/c8-3(9)1-2(5(10,11)12,6(13,14)15)20-4(3,19)7(16,17)18/h19H,1H2.
What are the key properties of 3,3-difluoro-2,5,5-tris(trifluoromethyl)oxolan-2-ol?
3,3-difluoro-2,5,5-tris(trifluoromethyl)oxolan-2-ol has a molecular weight of 328.08 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,5,5-tris(trifluoromethyl)oxolan-2-ol is sourced from PubChem (CID 89390182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).