(4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one

C6H7F3O2 — CID 131863829

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

About (4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one

(4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one (PubChem CID 131863829) has the molecular formula C6H7F3O2 and a molecular weight of 168.11 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one
PubChem CID131863829
Molecular FormulaC6H7F3O2
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name(4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one
SMILESC[C@H]1CC(=O)O[C@H]1C(F)(F)F
InChIInChI=1S/C6H7F3O2/c1-3-2-4(10)11-5(3)6(7,8)9/h3,5H,2H2,1H3/t3-,5+/m0/s1
InChIKeyZZUHYUGHFXZZFD-WVZVXSGGSA-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

4-(trifluoromethyl)oxetan-2-one
CID 54520542
4-phenyl-5-(trifluoromethyl)oxolan-2-one
CID 144706053
4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one
CID 144706040
(4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one
CID 102355572
5-acetyl-4-methyloxolan-2-one
CID 14713998
5-bromo-4,6-dimethyloxan-2-one
CID 130020674
(4S,7E,9R,13E,15R,16S)-9,15-dihydroxy-4,16-dimethyl-10-(trifluoromethyl)-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
CID 177385257
(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 10820549
(4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one
CID 131131118
(3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one
CID 7159230
2-methyl-6-(trideuteriomethyl)-1,3-dioxan-4-one
CID 165157557
(3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one
CID 131863830

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one (CID 131863829) is (4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one is C[C@H]1CC(=O)O[C@H]1C(F)(F)F.
What is the InChIKey of (4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one?
The InChIKey is ZZUHYUGHFXZZFD-WVZVXSGGSA-N. The full InChI is InChI=1S/C6H7F3O2/c1-3-2-4(10)11-5(3)6(7,8)9/h3,5H,2H2,1H3/t3-,5+/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one?
(4S,5R)-4-methyl-5-(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 (4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 131863829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).