N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide

C8H15F2NO2 — CID 103513968

IUPACN-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide
SMILESCCC(CCO)CNC(=O)C(F)F
InChIInChI=1S/C8H15F2NO2/c1-2-6(3-4-12)5-11-8(13)7(9)10/h6-7,12H,2-5H2,1H3,(H,11,13)
InChIKeyCWFGXVSLIUIXMR-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.78
Rot. Bonds6

About N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide

N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide (PubChem CID 103513968) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide
PubChem CID103513968
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC NameN-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide
SMILESCCC(CCO)CNC(=O)C(F)F
InChIInChI=1S/C8H15F2NO2/c1-2-6(3-4-12)5-11-8(13)7(9)10/h6-7,12H,2-5H2,1H3,(H,11,13)
InChIKeyCWFGXVSLIUIXMR-UHFFFAOYSA-N
XLogP0.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide?
The IUPAC name of N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide (CID 103513968) is N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide is CCC(CCO)CNC(=O)C(F)F.
What is the InChIKey of N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide?
The InChIKey is CWFGXVSLIUIXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-2-6(3-4-12)5-11-8(13)7(9)10/h6-7,12H,2-5H2,1H3,(H,11,13).
What are the key properties of N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide?
N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide has a molecular weight of 195.21 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide is sourced from PubChem (CID 103513968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).