(5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one

C10H9F3O4 — CID 102008510

IUPAC(5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one
SMILESC[C@H]1OC(=O)C[C@@H]1[C@]1(C(F)(F)F)C=CC(=O)O1
InChIInChI=1S/C10H9F3O4/c1-5-6(4-8(15)16-5)9(10(11,12)13)3-2-7(14)17-9/h2-3,5-6H,4H2,1H3/t5-,6+,9+/m1/s1
InChIKeyPOXULWUAKKCZNZ-JHEQGTHGSA-N
MW250.17 g/mol
LogP1.35
Rot. Bonds1

About (5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one

(5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one (PubChem CID 102008510) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is (5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one
PubChem CID102008510
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name(5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one
SMILESC[C@H]1OC(=O)C[C@@H]1[C@]1(C(F)(F)F)C=CC(=O)O1
InChIInChI=1S/C10H9F3O4/c1-5-6(4-8(15)16-5)9(10(11,12)13)3-2-7(14)17-9/h2-3,5-6H,4H2,1H3/t5-,6+,9+/m1/s1
InChIKeyPOXULWUAKKCZNZ-JHEQGTHGSA-N
XLogP1.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-4-methyl-2-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]-2H-furan-5-one
CID 101413878
(2R)-4-methyl-2-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]-2H-furan-5-one
CID 162913068
ethyl (1S,2R,3R,4R)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 71501965
ethyl (1S,2S,3S,4R)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 71501966
ethyl (1S,2R,3R,4R)-1-methyl-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 101547933
ethyl (1R,2R,3S,4S)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 101790493
ethyl (1S,2S,3R,4R)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 134980242
tert-butyl (1S,2S,3R,4R)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 134980308
ethyl (1S,2R,3S,4R)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 134980317
tert-butyl (1S,2R,3S,4R)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 134980405
2,2,2-Trifluoroethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 135060303
(5R)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one
CID 14976460

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one?
The IUPAC name of (5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one (CID 102008510) is (5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one.
What is the SMILES notation for (5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one?
The canonical SMILES for (5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one is C[C@H]1OC(=O)C[C@@H]1[C@]1(C(F)(F)F)C=CC(=O)O1.
What is the InChIKey of (5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one?
The InChIKey is POXULWUAKKCZNZ-JHEQGTHGSA-N. The full InChI is InChI=1S/C10H9F3O4/c1-5-6(4-8(15)16-5)9(10(11,12)13)3-2-7(14)17-9/h2-3,5-6H,4H2,1H3/t5-,6+,9+/m1/s1.
What are the key properties of (5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one?
(5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one has a molecular weight of 250.17 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R,3S)-2-methyl-5-oxooxolan-3-yl]-5-(trifluoromethyl)furan-2-one is sourced from PubChem (CID 102008510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).