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

C8H13F3O2 — CID 177360194

IUPAC(4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol
SMILESCC1C(O)O[C@@](C)(C(F)(F)F)[C@H]1C
InChIInChI=1S/C8H13F3O2/c1-4-5(2)7(3,8(9,10)11)13-6(4)12/h4-6,12H,1-3H3/t4?,5-,6?,7+/m0/s1
InChIKeySOLGSZPENPZXKH-UCNJAHMLSA-N
MW198.18 g/mol
LogP1.93
Rot. Bonds

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

(4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol (PubChem CID 177360194) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is (4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name(4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol
PubChem CID177360194
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name(4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol
SMILESCC1C(O)O[C@@](C)(C(F)(F)F)[C@H]1C
InChIInChI=1S/C8H13F3O2/c1-4-5(2)7(3,8(9,10)11)13-6(4)12/h4-6,12H,1-3H3/t4?,5-,6?,7+/m0/s1
InChIKeySOLGSZPENPZXKH-UCNJAHMLSA-N
XLogP1.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol?
The IUPAC name of (4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol (CID 177360194) is (4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol.
What is the SMILES notation for (4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol?
The canonical SMILES for (4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol is CC1C(O)O[C@@](C)(C(F)(F)F)[C@H]1C.
What is the InChIKey of (4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol?
The InChIKey is SOLGSZPENPZXKH-UCNJAHMLSA-N. The full InChI is InChI=1S/C8H13F3O2/c1-4-5(2)7(3,8(9,10)11)13-6(4)12/h4-6,12H,1-3H3/t4?,5-,6?,7+/m0/s1.
What are the key properties of (4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol?
(4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol has a molecular weight of 198.18 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol is sourced from PubChem (CID 177360194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).