4-amino-N-(2,2,2-trifluoroethyl)butanamide

C6H11F3N2O — CID 24701820

IUPAC4-amino-N-(2,2,2-trifluoroethyl)butanamide
SMILESNCCCC(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c7-6(8,9)4-11-5(12)2-1-3-10/h1-4,10H2,(H,11,12)
InChIKeyYGHKYPAECYYRLG-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.40
Rot. Bonds4

About 4-amino-N-(2,2,2-trifluoroethyl)butanamide

4-amino-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 24701820) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 4-amino-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID24701820
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name4-amino-N-(2,2,2-trifluoroethyl)butanamide
SMILESNCCCC(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c7-6(8,9)4-11-5(12)2-1-3-10/h1-4,10H2,(H,11,12)
InChIKeyYGHKYPAECYYRLG-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-amino-N-(2,2,2-trifluoroethyl)butanamide (CID 24701820) is 4-amino-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-amino-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-amino-N-(2,2,2-trifluoroethyl)butanamide is NCCCC(=O)NCC(F)(F)F.
What is the InChIKey of 4-amino-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is YGHKYPAECYYRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c7-6(8,9)4-11-5(12)2-1-3-10/h1-4,10H2,(H,11,12).
What are the key properties of 4-amino-N-(2,2,2-trifluoroethyl)butanamide?
4-amino-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 184.16 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 24701820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).