N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide

C9H17F2NO3 — CID 107939703

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide
SMILESCCCOCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H17F2NO3/c1-2-5-15-7-9(14)12(3-4-13)6-8(10)11/h8,13H,2-7H2,1H3
InChIKeyJBYSLEIXHXENRI-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.50
Rot. Bonds8

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide (PubChem CID 107939703) has the molecular formula C9H17F2NO3 and a molecular weight of 225.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide
PubChem CID107939703
Molecular FormulaC9H17F2NO3
Molecular Weight225.23 g/mol
Exact Mass225.12
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide
SMILESCCCOCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H17F2NO3/c1-2-5-15-7-9(14)12(3-4-13)6-8(10)11/h8,13H,2-7H2,1H3
InChIKeyJBYSLEIXHXENRI-UHFFFAOYSA-N
XLogP0.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide (CID 107939703) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide is CCCOCC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide?
The InChIKey is JBYSLEIXHXENRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO3/c1-2-5-15-7-9(14)12(3-4-13)6-8(10)11/h8,13H,2-7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide has a molecular weight of 225.23 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propoxyacetamide is sourced from PubChem (CID 107939703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).