3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide

C11H21F3N2O — CID 113327468

IUPAC3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9(2,10(3,4)15)8(17)16-7-5-6-11(12,13)14/h5-7,15H2,1-4H3,(H,16,17)
InChIKeyWPLAPOVKNXQHTN-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.21
Rot. Bonds5

About 3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide

3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide (PubChem CID 113327468) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide
PubChem CID113327468
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9(2,10(3,4)15)8(17)16-7-5-6-11(12,13)14/h5-7,15H2,1-4H3,(H,16,17)
InChIKeyWPLAPOVKNXQHTN-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide (CID 113327468) is 3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide is CC(C)(N)C(C)(C)C(=O)NCCCC(F)(F)F.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide?
The InChIKey is WPLAPOVKNXQHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(2,10(3,4)15)8(17)16-7-5-6-11(12,13)14/h5-7,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide?
3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide has a molecular weight of 254.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)butanamide is sourced from PubChem (CID 113327468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).