3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide

C8H16F2N2O2 — CID 107479433

IUPAC3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide
SMILESCC(N)CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-6(11)4-8(14)12(2-3-13)5-7(9)10/h6-7,13H,2-5,11H2,1H3
InChIKeyCPASRTUIVIPTOQ-UHFFFAOYSA-N
MW210.22 g/mol
LogP-0.19
Rot. Bonds6

About 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide

3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide (PubChem CID 107479433) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide
PubChem CID107479433
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Name3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide
SMILESCC(N)CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-6(11)4-8(14)12(2-3-13)5-7(9)10/h6-7,13H,2-5,11H2,1H3
InChIKeyCPASRTUIVIPTOQ-UHFFFAOYSA-N
XLogP-0.19
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide
CID 134349474
2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide
CID 134349745
N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 171073943
N-tert-butyl-2,2-difluoro-N'-(2-hydroxyethyl)propanediamide
CID 177087468
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871774
N-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 54874850
2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide
CID 54874860
3-(tert-butylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 54874870
N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide
CID 54874871
3-(cyclopropylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 54874884
3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 55121010
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60946145

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide (CID 107479433) is 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide is CC(N)CC(=O)N(CCO)CC(F)F.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide?
The InChIKey is CPASRTUIVIPTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-6(11)4-8(14)12(2-3-13)5-7(9)10/h6-7,13H,2-5,11H2,1H3.
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide?
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide has a molecular weight of 210.22 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 107479433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).