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

C7H11F3O2 — CID 177360213

IUPAC(4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
SMILESC[C@H]1CC(O)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-4-3-5(11)12-6(4,2)7(8,9)10/h4-5,11H,3H2,1-2H3/t4-,5?,6+/m0/s1
InChIKeyVLQNLFQJIWPFHD-NOWQFEBASA-N
MW184.16 g/mol
LogP1.68
Rot. Bonds

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

(4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol (PubChem CID 177360213) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is (4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name(4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
PubChem CID177360213
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name(4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
SMILESC[C@H]1CC(O)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-4-3-5(11)12-6(4,2)7(8,9)10/h4-5,11H,3H2,1-2H3/t4-,5?,6+/m0/s1
InChIKeyVLQNLFQJIWPFHD-NOWQFEBASA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
The IUPAC name of (4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol (CID 177360213) is (4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol.
What is the SMILES notation for (4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
The canonical SMILES for (4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol is C[C@H]1CC(O)O[C@@]1(C)C(F)(F)F.
What is the InChIKey of (4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
The InChIKey is VLQNLFQJIWPFHD-NOWQFEBASA-N. The full InChI is InChI=1S/C7H11F3O2/c1-4-3-5(11)12-6(4,2)7(8,9)10/h4-5,11H,3H2,1-2H3/t4-,5?,6+/m0/s1.
What are the key properties of (4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
(4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol has a molecular weight of 184.16 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol is sourced from PubChem (CID 177360213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).