4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide

C8H16F2N2O2 — CID 103156737

IUPAC4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide
SMILESCOC(CN)CC(=O)N(C)CC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-12(5-7(9)10)8(13)3-6(4-11)14-2/h6-7H,3-5,11H2,1-2H3
InChIKeyVLSYSAOMJBJJOE-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.07
Rot. Bonds6

About 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide

4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide (PubChem CID 103156737) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide
PubChem CID103156737
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Name4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide
SMILESCOC(CN)CC(=O)N(C)CC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-12(5-7(9)10)8(13)3-6(4-11)14-2/h6-7H,3-5,11H2,1-2H3
InChIKeyVLSYSAOMJBJJOE-UHFFFAOYSA-N
XLogP0.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide (CID 103156737) is 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide is COC(CN)CC(=O)N(C)CC(F)F.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide?
The InChIKey is VLSYSAOMJBJJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-12(5-7(9)10)8(13)3-6(4-11)14-2/h6-7H,3-5,11H2,1-2H3.
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide?
4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide has a molecular weight of 210.22 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-methylbutanamide is sourced from PubChem (CID 103156737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).