N-ethyl-2,2-difluoro-N-methylacetamide

C5H9F2NO — CID 59154831

IUPACN-ethyl-2,2-difluoro-N-methylacetamide
SMILESCCN(C)C(=O)C(F)F
InChIInChI=1S/C5H9F2NO/c1-3-8(2)5(9)4(6)7/h4H,3H2,1-2H3
InChIKeyNNDRENFETLKIMD-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.73
Rot. Bonds2

About N-ethyl-2,2-difluoro-N-methylacetamide

N-ethyl-2,2-difluoro-N-methylacetamide (PubChem CID 59154831) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-N-methylacetamide
PubChem CID59154831
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC NameN-ethyl-2,2-difluoro-N-methylacetamide
SMILESCCN(C)C(=O)C(F)F
InChIInChI=1S/C5H9F2NO/c1-3-8(2)5(9)4(6)7/h4H,3H2,1-2H3
InChIKeyNNDRENFETLKIMD-UHFFFAOYSA-N
XLogP0.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-N-methylacetamide?
The IUPAC name of N-ethyl-2,2-difluoro-N-methylacetamide (CID 59154831) is N-ethyl-2,2-difluoro-N-methylacetamide.
What is the SMILES notation for N-ethyl-2,2-difluoro-N-methylacetamide?
The canonical SMILES for N-ethyl-2,2-difluoro-N-methylacetamide is CCN(C)C(=O)C(F)F.
What is the InChIKey of N-ethyl-2,2-difluoro-N-methylacetamide?
The InChIKey is NNDRENFETLKIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c1-3-8(2)5(9)4(6)7/h4H,3H2,1-2H3.
What are the key properties of N-ethyl-2,2-difluoro-N-methylacetamide?
N-ethyl-2,2-difluoro-N-methylacetamide has a molecular weight of 137.13 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-N-methylacetamide is sourced from PubChem (CID 59154831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).