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

C9H18F2N2O — CID 115406837

IUPAC3-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCC(F)F
InChIInChI=1S/C9H18F2N2O/c1-8(2,9(3,4)12)7(14)13-5-6(10)11/h6H,5,12H2,1-4H3,(H,13,14)
InChIKeyVDXUGZVGMJVTNF-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.13
Rot. Bonds4

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

3-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylbutanamide (PubChem CID 115406837) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylbutanamide
PubChem CID115406837
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name3-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCC(F)F
InChIInChI=1S/C9H18F2N2O/c1-8(2,9(3,4)12)7(14)13-5-6(10)11/h6H,5,12H2,1-4H3,(H,13,14)
InChIKeyVDXUGZVGMJVTNF-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylbutanamide (CID 115406837) is 3-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)NCC(F)F.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylbutanamide?
The InChIKey is VDXUGZVGMJVTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-8(2,9(3,4)12)7(14)13-5-6(10)11/h6H,5,12H2,1-4H3,(H,13,14).
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylbutanamide?
3-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylbutanamide has a molecular weight of 208.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 115406837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).