4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide

C7H14F2N2O2 — CID 103156452

IUPAC4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(F)F
InChIInChI=1S/C7H14F2N2O2/c1-13-5(3-10)2-7(12)11-4-6(8)9/h5-6H,2-4,10H2,1H3,(H,11,12)
InChIKeyICEKPSGLGAIZRC-UHFFFAOYSA-N
MW196.20 g/mol
LogP-0.27
Rot. Bonds6

About 4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide

4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide (PubChem CID 103156452) has the molecular formula C7H14F2N2O2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide
PubChem CID103156452
Molecular FormulaC7H14F2N2O2
Molecular Weight196.20 g/mol
Exact Mass196.10
IUPAC Name4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(F)F
InChIInChI=1S/C7H14F2N2O2/c1-13-5(3-10)2-7(12)11-4-6(8)9/h5-6H,2-4,10H2,1H3,(H,11,12)
InChIKeyICEKPSGLGAIZRC-UHFFFAOYSA-N
XLogP-0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Trifluoromethoxy)pyrrolidin-2-one
CID 123668486
4-amino-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 134199888
2,2-difluoro-3-hydroxy-4-(methylamino)-N-(2,2,2-trifluoroethyl)butanamide
CID 134199911
4-amino-2,2-difluoro-N-(2-fluoroethyl)-3-hydroxybutanamide
CID 156300664
4-(Difluoromethoxy)pyrrolidin-2-one
CID 175725658
N-(3-ethoxypropyl)-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66426364
N-methyl-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66426770
2-morpholin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 66427270
N-ethyl-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66427676
N-methyl-2-morpholin-2-yl-N-(3,3,3-trifluoropropyl)acetamide
CID 66427705
N-butyl-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66428706
2-morpholin-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 66428916

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide (CID 103156452) is 4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide is COC(CN)CC(=O)NCC(F)F.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide?
The InChIKey is ICEKPSGLGAIZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2/c1-13-5(3-10)2-7(12)11-4-6(8)9/h5-6H,2-4,10H2,1H3,(H,11,12).
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide?
4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide has a molecular weight of 196.20 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-3-methoxybutanamide is sourced from PubChem (CID 103156452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).