N-(2,2-difluoroethyl)-2-methoxyacetamide

C5H9F2NO2 — CID 79078959

IUPACN-(2,2-difluoroethyl)-2-methoxyacetamide
SMILESCOCC(=O)NCC(F)F
InChIInChI=1S/C5H9F2NO2/c1-10-3-5(9)8-2-4(6)7/h4H,2-3H2,1H3,(H,8,9)
InChIKeyQYRDNVWNYCFDPU-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.01
Rot. Bonds4

About N-(2,2-difluoroethyl)-2-methoxyacetamide

N-(2,2-difluoroethyl)-2-methoxyacetamide (PubChem CID 79078959) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-methoxyacetamide
PubChem CID79078959
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC NameN-(2,2-difluoroethyl)-2-methoxyacetamide
SMILESCOCC(=O)NCC(F)F
InChIInChI=1S/C5H9F2NO2/c1-10-3-5(9)8-2-4(6)7/h4H,2-3H2,1H3,(H,8,9)
InChIKeyQYRDNVWNYCFDPU-UHFFFAOYSA-N
XLogP0.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-methoxyacetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-methoxyacetamide (CID 79078959) is N-(2,2-difluoroethyl)-2-methoxyacetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-methoxyacetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-methoxyacetamide is COCC(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-methoxyacetamide?
The InChIKey is QYRDNVWNYCFDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-10-3-5(9)8-2-4(6)7/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of N-(2,2-difluoroethyl)-2-methoxyacetamide?
N-(2,2-difluoroethyl)-2-methoxyacetamide has a molecular weight of 153.13 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-methoxyacetamide is sourced from PubChem (CID 79078959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).