2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide

C8H16F2N2O — CID 87622940

IUPAC2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCC(F)F
InChIInChI=1S/C8H16F2N2O/c1-8(2,3)6(11)7(13)12-4-5(9)10/h5-6H,4,11H2,1-3H3,(H,12,13)
InChIKeyMMGVYFGFAIFCEQ-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.74
Rot. Bonds3

About 2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide

2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide (PubChem CID 87622940) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide
PubChem CID87622940
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCC(F)F
InChIInChI=1S/C8H16F2N2O/c1-8(2,3)6(11)7(13)12-4-5(9)10/h5-6H,4,11H2,1-3H3,(H,12,13)
InChIKeyMMGVYFGFAIFCEQ-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide (CID 87622940) is 2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)NCC(F)F.
What is the InChIKey of 2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide?
The InChIKey is MMGVYFGFAIFCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-8(2,3)6(11)7(13)12-4-5(9)10/h5-6H,4,11H2,1-3H3,(H,12,13).
What are the key properties of 2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide?
2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide has a molecular weight of 194.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 87622940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).