[(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate

C9H13FO6 — CID 122453773

IUPAC[(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate
SMILESCC(=O)OC[C@@H](OC(C)=O)OC(=O)[C@H](C)F
InChIInChI=1S/C9H13FO6/c1-5(10)9(13)16-8(15-7(3)12)4-14-6(2)11/h5,8H,4H2,1-3H3/t5-,8-/m0/s1
InChIKeyOCNVYAJKECJEKS-XNCJUZBTSA-N
MW236.19 g/mol
LogP0.34
Rot. Bonds5

About [(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate

[(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate (PubChem CID 122453773) has the molecular formula C9H13FO6 and a molecular weight of 236.19 g/mol. Its IUPAC name is [(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate.

Molecular Properties

Compound Name[(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate
PubChem CID122453773
Molecular FormulaC9H13FO6
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Name[(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate
SMILESCC(=O)OC[C@@H](OC(C)=O)OC(=O)[C@H](C)F
InChIInChI=1S/C9H13FO6/c1-5(10)9(13)16-8(15-7(3)12)4-14-6(2)11/h5,8H,4H2,1-3H3/t5-,8-/m0/s1
InChIKeyOCNVYAJKECJEKS-XNCJUZBTSA-N
XLogP0.34
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate 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

CID 76325
CID 76325
CID 546223
CID 546223
CID 54275785
CID 54275785
CID 54529340
CID 54529340
CID 58692140
CID 58692140
CID 118909861
CID 118909861
CID 129214216
CID 129214216
CID 149935165
CID 149935165
CID 169577749
CID 169577749
CID 169577911
CID 169577911
CID 169896037
CID 169896037
CID 169896051
CID 169896051

Frequently Asked Questions

What is the IUPAC name of [(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate?
The IUPAC name of [(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate (CID 122453773) is [(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate.
What is the SMILES notation for [(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate?
The canonical SMILES for [(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate is CC(=O)OC[C@@H](OC(C)=O)OC(=O)[C@H](C)F.
What is the InChIKey of [(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate?
The InChIKey is OCNVYAJKECJEKS-XNCJUZBTSA-N. The full InChI is InChI=1S/C9H13FO6/c1-5(10)9(13)16-8(15-7(3)12)4-14-6(2)11/h5,8H,4H2,1-3H3/t5-,8-/m0/s1.
What are the key properties of [(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate?
[(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate has a molecular weight of 236.19 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate is sourced from PubChem (CID 122453773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).