[(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate

C14H21F3O6 — CID 100945922

IUPAC[(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate
SMILESCC(C)(CCC[C@@](C)(O)[C@H]1OC(=O)C[C@@H]1O)OC(=O)C(F)(F)F
InChIInChI=1S/C14H21F3O6/c1-12(2,23-11(20)14(15,16)17)5-4-6-13(3,21)10-8(18)7-9(19)22-10/h8,10,18,21H,4-7H2,1-3H3/t8-,10-,13+/m0/s1
InChIKeyAEFHFBAENBXPKM-GMOODISLSA-N
MW342.31 g/mol
LogP1.47
Rot. Bonds6

About [(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate

[(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate (PubChem CID 100945922) has the molecular formula C14H21F3O6 and a molecular weight of 342.31 g/mol. Its IUPAC name is [(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate
PubChem CID100945922
Molecular FormulaC14H21F3O6
Molecular Weight342.31 g/mol
Exact Mass342.13
IUPAC Name[(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate
SMILESCC(C)(CCC[C@@](C)(O)[C@H]1OC(=O)C[C@@H]1O)OC(=O)C(F)(F)F
InChIInChI=1S/C14H21F3O6/c1-12(2,23-11(20)14(15,16)17)5-4-6-13(3,21)10-8(18)7-9(19)22-10/h8,10,18,21H,4-7H2,1-3H3/t8-,10-,13+/m0/s1
InChIKeyAEFHFBAENBXPKM-GMOODISLSA-N
XLogP1.47
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate (CID 100945922) is [(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate is CC(C)(CCC[C@@](C)(O)[C@H]1OC(=O)C[C@@H]1O)OC(=O)C(F)(F)F.
What is the InChIKey of [(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is AEFHFBAENBXPKM-GMOODISLSA-N. The full InChI is InChI=1S/C14H21F3O6/c1-12(2,23-11(20)14(15,16)17)5-4-6-13(3,21)10-8(18)7-9(19)22-10/h8,10,18,21H,4-7H2,1-3H3/t8-,10-,13+/m0/s1.
What are the key properties of [(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate?
[(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 342.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-hydroxy-6-[(2S,3S)-3-hydroxy-5-oxooxolan-2-yl]-2-methylheptan-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 100945922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).