(3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one

C6H7F3O2 — CID 7159230

IUPAC(3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one
SMILESC[C@H]1C[C@H](C(F)(F)F)C(=O)O1
InChIInChI=1S/C6H7F3O2/c1-3-2-4(5(10)11-3)6(7,8)9/h3-4H,2H2,1H3/t3-,4-/m0/s1
InChIKeyQYTOOVCITOVYEL-IMJSIDKUSA-N
MW168.11 g/mol
LogP1.50
Rot. Bonds

About (3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one

(3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one (PubChem CID 7159230) has the molecular formula C6H7F3O2 and a molecular weight of 168.11 g/mol. Its IUPAC name is (3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one
PubChem CID7159230
Molecular FormulaC6H7F3O2
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name(3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one
SMILESC[C@H]1C[C@H](C(F)(F)F)C(=O)O1
InChIInChI=1S/C6H7F3O2/c1-3-2-4(5(10)11-3)6(7,8)9/h3-4H,2H2,1H3/t3-,4-/m0/s1
InChIKeyQYTOOVCITOVYEL-IMJSIDKUSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-3,5-dimethyloxolan-2-one
CID 5324164
(3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one
CID 131863830
5-methyl-3-propan-2-yloxolan-2-one
CID 29717
(3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one
CID 10877260
(3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid
CID 129375031
(3S)-3-(hydroxymethyl)-5-methyloxolan-2-one
CID 70587872
3-ethanethioyl-5-methyloxolan-2-one
CID 134985857
5-methyl-3-(2-methylpropanoyl)oxolan-2-one
CID 134895477
5-methylidene-3-(trifluoromethyl)oxolan-2-one
CID 15724418
(4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one
CID 131863829
(3S)-3-(trifluoromethyl)oxan-2-one
CID 146165160
4-methyl-3-oxabicyclo[4.3.2]undecan-2-one
CID 123229983

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one (CID 7159230) is (3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one is C[C@H]1C[C@H](C(F)(F)F)C(=O)O1.
What is the InChIKey of (3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one?
The InChIKey is QYTOOVCITOVYEL-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H7F3O2/c1-3-2-4(5(10)11-3)6(7,8)9/h3-4H,2H2,1H3/t3-,4-/m0/s1.
What are the key properties of (3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one?
(3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one has a molecular weight of 168.11 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 7159230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).