2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide

C9H17F2NO2 — CID 103513901

IUPAC2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCO)C(=O)C(F)F
InChIInChI=1S/C9H17F2NO2/c1-3-7(4-2)12(5-6-13)9(14)8(10)11/h7-8,13H,3-6H2,1-2H3
InChIKeyHWMDFVJTYWVYEW-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.26
Rot. Bonds6

About 2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide

2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide (PubChem CID 103513901) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
PubChem CID103513901
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCO)C(=O)C(F)F
InChIInChI=1S/C9H17F2NO2/c1-3-7(4-2)12(5-6-13)9(14)8(10)11/h7-8,13H,3-6H2,1-2H3
InChIKeyHWMDFVJTYWVYEW-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.26
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-pentan-3-ylacetamide?
The IUPAC name of 2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide (CID 103513901) is 2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide is CCC(CC)N(CCO)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
The InChIKey is HWMDFVJTYWVYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-3-7(4-2)12(5-6-13)9(14)8(10)11/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide has a molecular weight of 209.24 g/mol, XLogP of 1.26, 6 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-pentan-3-ylacetamide is sourced from PubChem (CID 103513901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).