2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide

C5H9F2NO2 — CID 103513890

IUPAC2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)C(F)F
InChIInChI=1S/C5H9F2NO2/c1-8(2-3-9)5(10)4(6)7/h4,9H,2-3H2,1H3
InChIKeyKKUAEMSTZILPKQ-UHFFFAOYSA-N
MW153.13 g/mol
LogP-0.30
Rot. Bonds3

About 2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide

2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 103513890) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID103513890
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)C(F)F
InChIInChI=1S/C5H9F2NO2/c1-8(2-3-9)5(10)4(6)7/h4,9H,2-3H2,1H3
InChIKeyKKUAEMSTZILPKQ-UHFFFAOYSA-N
XLogP-0.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide (CID 103513890) is 2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide is CN(CCO)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is KKUAEMSTZILPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-8(2-3-9)5(10)4(6)7/h4,9H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide?
2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 153.13 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 103513890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).