methyl 2,2-difluoro-3-methoxypropanoate

C5H8F2O3 — CID 2769543

IUPACmethyl 2,2-difluoro-3-methoxypropanoate
SMILESCOCC(F)(F)C(=O)OC
InChIInChI=1S/C5H8F2O3/c1-9-3-5(6,7)4(8)10-2/h3H2,1-2H3
InChIKeyGKYYMXQCYVIIJJ-UHFFFAOYSA-N
MW154.11 g/mol
LogP0.44
Rot. Bonds3

About methyl 2,2-difluoro-3-methoxypropanoate

methyl 2,2-difluoro-3-methoxypropanoate (PubChem CID 2769543) has the molecular formula C5H8F2O3 and a molecular weight of 154.11 g/mol. Its IUPAC name is methyl 2,2-difluoro-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl 2,2-difluoro-3-methoxypropanoate
PubChem CID2769543
Molecular FormulaC5H8F2O3
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Namemethyl 2,2-difluoro-3-methoxypropanoate
SMILESCOCC(F)(F)C(=O)OC
InChIInChI=1S/C5H8F2O3/c1-9-3-5(6,7)4(8)10-2/h3H2,1-2H3
InChIKeyGKYYMXQCYVIIJJ-UHFFFAOYSA-N
XLogP0.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2,2-difluoro-3-methoxypropanoate 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

methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate
CID 87161863
methyl 2,2-difluoroheptadecanoate
CID 150501536
dimethyl 2-bromo-4,4-difluoro-2-methylpentanedioate
CID 155658067
methyl 2,2-difluorodecanoate
CID 22025599
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680
methyl 2-tert-butyl-2-(methoxymethyl)-3,3-dimethylbutanoate
CID 87162780
methyl 2-(chloromethyl)-3-methoxy-2-methylpropanoate
CID 14093553
methyl 2,2-difluoro-3,3-dihydroxybutanoate
CID 91543242
dimethyl 2-(chloromethyl)-2-fluoropropanedioate
CID 118607733
methyl (4R)-4-amino-2,2-difluorohex-5-enoate
CID 146622287
2-fluoro-2-(2-methoxyethyl)propanedioic acid
CID 122239756
methyl 4-ethyl-2,2-difluoro-4-iodoheptanoate
CID 153324326

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-difluoro-3-methoxypropanoate?
The IUPAC name of methyl 2,2-difluoro-3-methoxypropanoate (CID 2769543) is methyl 2,2-difluoro-3-methoxypropanoate.
What is the SMILES notation for methyl 2,2-difluoro-3-methoxypropanoate?
The canonical SMILES for methyl 2,2-difluoro-3-methoxypropanoate is COCC(F)(F)C(=O)OC.
What is the InChIKey of methyl 2,2-difluoro-3-methoxypropanoate?
The InChIKey is GKYYMXQCYVIIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O3/c1-9-3-5(6,7)4(8)10-2/h3H2,1-2H3.
What are the key properties of methyl 2,2-difluoro-3-methoxypropanoate?
methyl 2,2-difluoro-3-methoxypropanoate has a molecular weight of 154.11 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-difluoro-3-methoxypropanoate is sourced from PubChem (CID 2769543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).