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

C8H11F3O3 — CID 131848912

IUPAC(4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one
SMILESCCO[C@H]1OC(=O)C[C@@]1(C)C(F)(F)F
InChIInChI=1S/C8H11F3O3/c1-3-13-6-7(2,8(9,10)11)4-5(12)14-6/h6H,3-4H2,1-2H3/t6-,7+/m0/s1
InChIKeyYKIUADXTMGOOEN-NKWVEPMBSA-N
MW212.17 g/mol
LogP1.86
Rot. Bonds2

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

(4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one (PubChem CID 131848912) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is (4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one
PubChem CID131848912
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Name(4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one
SMILESCCO[C@H]1OC(=O)C[C@@]1(C)C(F)(F)F
InChIInChI=1S/C8H11F3O3/c1-3-13-6-7(2,8(9,10)11)4-5(12)14-6/h6H,3-4H2,1-2H3/t6-,7+/m0/s1
InChIKeyYKIUADXTMGOOEN-NKWVEPMBSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one (CID 131848912) is (4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one is CCO[C@H]1OC(=O)C[C@@]1(C)C(F)(F)F.
What is the InChIKey of (4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one?
The InChIKey is YKIUADXTMGOOEN-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H11F3O3/c1-3-13-6-7(2,8(9,10)11)4-5(12)14-6/h6H,3-4H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one?
(4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one has a molecular weight of 212.17 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 131848912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).