3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol

C9H11F7O2 — CID 134222472

IUPAC3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol
SMILESCC1C(F)(F)C(C)(C)OC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C9H11F7O2/c1-4-6(10,11)5(2,3)18-8(17,7(4,12)13)9(14,15)16/h4,17H,1-3H3
InChIKeyGAVBWOMKJWOVBJ-UHFFFAOYSA-N
MW284.17 g/mol
LogP2.95
Rot. Bonds

About 3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol

3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol (PubChem CID 134222472) has the molecular formula C9H11F7O2 and a molecular weight of 284.17 g/mol. Its IUPAC name is 3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol.

Molecular Properties

Compound Name3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol
PubChem CID134222472
Molecular FormulaC9H11F7O2
Molecular Weight284.17 g/mol
Exact Mass284.06
IUPAC Name3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol
SMILESCC1C(F)(F)C(C)(C)OC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C9H11F7O2/c1-4-6(10,11)5(2,3)18-8(17,7(4,12)13)9(14,15)16/h4,17H,1-3H3
InChIKeyGAVBWOMKJWOVBJ-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol?
The IUPAC name of 3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol (CID 134222472) is 3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol.
What is the SMILES notation for 3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol?
The canonical SMILES for 3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol is CC1C(F)(F)C(C)(C)OC(O)(C(F)(F)F)C1(F)F.
What is the InChIKey of 3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol?
The InChIKey is GAVBWOMKJWOVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7O2/c1-4-6(10,11)5(2,3)18-8(17,7(4,12)13)9(14,15)16/h4,17H,1-3H3.
What are the key properties of 3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol?
3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol has a molecular weight of 284.17 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol is sourced from PubChem (CID 134222472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).