2-methyliminoethyl 2,2-difluoroacetate

C5H7F2NO2 — CID 162619231

IUPAC2-methyliminoethyl 2,2-difluoroacetate
SMILESC/N=C/COC(=O)C(F)F
InChIInChI=1S/C5H7F2NO2/c1-8-2-3-10-5(9)4(6)7/h2,4H,3H2,1H3/b8-2+
InChIKeyNDUSLDPYFHCQBZ-KRXBUXKQSA-N
MW151.11 g/mol
LogP0.50
Rot. Bonds3

About 2-methyliminoethyl 2,2-difluoroacetate

2-methyliminoethyl 2,2-difluoroacetate (PubChem CID 162619231) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 2-methyliminoethyl 2,2-difluoroacetate.

Molecular Properties

Compound Name2-methyliminoethyl 2,2-difluoroacetate
PubChem CID162619231
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name2-methyliminoethyl 2,2-difluoroacetate
SMILESC/N=C/COC(=O)C(F)F
InChIInChI=1S/C5H7F2NO2/c1-8-2-3-10-5(9)4(6)7/h2,4H,3H2,1H3/b8-2+
InChIKeyNDUSLDPYFHCQBZ-KRXBUXKQSA-N
XLogP0.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyliminoethyl 2,2-difluoroacetate?
The IUPAC name of 2-methyliminoethyl 2,2-difluoroacetate (CID 162619231) is 2-methyliminoethyl 2,2-difluoroacetate.
What is the SMILES notation for 2-methyliminoethyl 2,2-difluoroacetate?
The canonical SMILES for 2-methyliminoethyl 2,2-difluoroacetate is C/N=C/COC(=O)C(F)F.
What is the InChIKey of 2-methyliminoethyl 2,2-difluoroacetate?
The InChIKey is NDUSLDPYFHCQBZ-KRXBUXKQSA-N. The full InChI is InChI=1S/C5H7F2NO2/c1-8-2-3-10-5(9)4(6)7/h2,4H,3H2,1H3/b8-2+.
What are the key properties of 2-methyliminoethyl 2,2-difluoroacetate?
2-methyliminoethyl 2,2-difluoroacetate has a molecular weight of 151.11 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyliminoethyl 2,2-difluoroacetate is sourced from PubChem (CID 162619231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).