2-(2,2,2-trifluoroethylamino)butanamide

C6H11F3N2O — CID 60997472

IUPAC2-(2,2,2-trifluoroethylamino)butanamide
SMILESCCC(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C6H11F3N2O/c1-2-4(5(10)12)11-3-6(7,8)9/h4,11H,2-3H2,1H3,(H2,10,12)
InChIKeySGZRJJYTOGBXGQ-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.40
Rot. Bonds4

About 2-(2,2,2-trifluoroethylamino)butanamide

2-(2,2,2-trifluoroethylamino)butanamide (PubChem CID 60997472) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)butanamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)butanamide
PubChem CID60997472
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name2-(2,2,2-trifluoroethylamino)butanamide
SMILESCCC(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C6H11F3N2O/c1-2-4(5(10)12)11-3-6(7,8)9/h4,11H,2-3H2,1H3,(H2,10,12)
InChIKeySGZRJJYTOGBXGQ-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 2-(2,2,2-trifluoroethylamino)butanamide?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)butanamide (CID 60997472) is 2-(2,2,2-trifluoroethylamino)butanamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)butanamide?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)butanamide is CCC(NCC(F)(F)F)C(N)=O.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)butanamide?
The InChIKey is SGZRJJYTOGBXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-2-4(5(10)12)11-3-6(7,8)9/h4,11H,2-3H2,1H3,(H2,10,12).
What are the key properties of 2-(2,2,2-trifluoroethylamino)butanamide?
2-(2,2,2-trifluoroethylamino)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 2-(2,2,2-trifluoroethylamino)butanamide is sourced from PubChem (CID 60997472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).