trimethoxymethyl 2,2-difluoroacetate

C6H10F2O5 — CID 87157139

IUPACtrimethoxymethyl 2,2-difluoroacetate
SMILESCOC(OC)(OC)OC(=O)C(F)F
InChIInChI=1S/C6H10F2O5/c1-10-6(11-2,12-3)13-5(9)4(7)8/h4H,1-3H3
InChIKeyRENSJSMKLPEYPB-UHFFFAOYSA-N
MW200.14 g/mol
LogP0.35
Rot. Bonds5

About trimethoxymethyl 2,2-difluoroacetate

trimethoxymethyl 2,2-difluoroacetate (PubChem CID 87157139) has the molecular formula C6H10F2O5 and a molecular weight of 200.14 g/mol. Its IUPAC name is trimethoxymethyl 2,2-difluoroacetate.

Molecular Properties

Compound Nametrimethoxymethyl 2,2-difluoroacetate
PubChem CID87157139
Molecular FormulaC6H10F2O5
Molecular Weight200.14 g/mol
Exact Mass200.05
IUPAC Nametrimethoxymethyl 2,2-difluoroacetate
SMILESCOC(OC)(OC)OC(=O)C(F)F
InChIInChI=1S/C6H10F2O5/c1-10-6(11-2,12-3)13-5(9)4(7)8/h4H,1-3H3
InChIKeyRENSJSMKLPEYPB-UHFFFAOYSA-N
XLogP0.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxymethyl 2,2-difluoroacetate?
The IUPAC name of trimethoxymethyl 2,2-difluoroacetate (CID 87157139) is trimethoxymethyl 2,2-difluoroacetate.
What is the SMILES notation for trimethoxymethyl 2,2-difluoroacetate?
The canonical SMILES for trimethoxymethyl 2,2-difluoroacetate is COC(OC)(OC)OC(=O)C(F)F.
What is the InChIKey of trimethoxymethyl 2,2-difluoroacetate?
The InChIKey is RENSJSMKLPEYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O5/c1-10-6(11-2,12-3)13-5(9)4(7)8/h4H,1-3H3.
What are the key properties of trimethoxymethyl 2,2-difluoroacetate?
trimethoxymethyl 2,2-difluoroacetate has a molecular weight of 200.14 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxymethyl 2,2-difluoroacetate is sourced from PubChem (CID 87157139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).