N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide

C9H14F4N2O2 — CID 113250804

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide
SMILESCC(C)(C)NC(=O)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H14F4N2O2/c1-8(2,3)15-5(16)4-14-7(17)9(12,13)6(10)11/h6H,4H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyIGRYFQSMXSFMLF-UHFFFAOYSA-N
MW258.21 g/mol
LogP0.92
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide

N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 113250804) has the molecular formula C9H14F4N2O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID113250804
Molecular FormulaC9H14F4N2O2
Molecular Weight258.21 g/mol
Exact Mass258.10
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide
SMILESCC(C)(C)NC(=O)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H14F4N2O2/c1-8(2,3)15-5(16)4-14-7(17)9(12,13)6(10)11/h6H,4H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyIGRYFQSMXSFMLF-UHFFFAOYSA-N
XLogP0.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732179
N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732155
N-(2-amino-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119627588
N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732251
N-tert-butyl-2-[(2-methoxyacetyl)amino]acetamide
CID 71944236
N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
CID 103770162
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574936
N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide
CID 115356267
methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate
CID 103958229
N-tert-butyl-2-(diethylcarbamoylamino)acetamide
CID 115575873
N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 110965911
2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide
CID 107168274

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide (CID 113250804) is N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide is CC(C)(C)NC(=O)CNC(=O)C(F)(F)C(F)F.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is IGRYFQSMXSFMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O2/c1-8(2,3)15-5(16)4-14-7(17)9(12,13)6(10)11/h6H,4H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 258.21 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 113250804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).