2-[propyl(2,2,2-trifluoroethyl)amino]butanamide

C9H17F3N2O — CID 62900855

IUPAC2-[propyl(2,2,2-trifluoroethyl)amino]butanamide
SMILESCCCN(CC(F)(F)F)C(CC)C(N)=O
InChIInChI=1S/C9H17F3N2O/c1-3-5-14(6-9(10,11)12)7(4-2)8(13)15/h7H,3-6H2,1-2H3,(H2,13,15)
InChIKeyHXQJCYYWKIKLOF-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.52
Rot. Bonds6

About 2-[propyl(2,2,2-trifluoroethyl)amino]butanamide

2-[propyl(2,2,2-trifluoroethyl)amino]butanamide (PubChem CID 62900855) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[propyl(2,2,2-trifluoroethyl)amino]butanamide.

Molecular Properties

Compound Name2-[propyl(2,2,2-trifluoroethyl)amino]butanamide
PubChem CID62900855
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-[propyl(2,2,2-trifluoroethyl)amino]butanamide
SMILESCCCN(CC(F)(F)F)C(CC)C(N)=O
InChIInChI=1S/C9H17F3N2O/c1-3-5-14(6-9(10,11)12)7(4-2)8(13)15/h7H,3-6H2,1-2H3,(H2,13,15)
InChIKeyHXQJCYYWKIKLOF-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[propyl(2,2,2-trifluoroethyl)amino]butanamide?
The IUPAC name of 2-[propyl(2,2,2-trifluoroethyl)amino]butanamide (CID 62900855) is 2-[propyl(2,2,2-trifluoroethyl)amino]butanamide.
What is the SMILES notation for 2-[propyl(2,2,2-trifluoroethyl)amino]butanamide?
The canonical SMILES for 2-[propyl(2,2,2-trifluoroethyl)amino]butanamide is CCCN(CC(F)(F)F)C(CC)C(N)=O.
What is the InChIKey of 2-[propyl(2,2,2-trifluoroethyl)amino]butanamide?
The InChIKey is HXQJCYYWKIKLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-3-5-14(6-9(10,11)12)7(4-2)8(13)15/h7H,3-6H2,1-2H3,(H2,13,15).
What are the key properties of 2-[propyl(2,2,2-trifluoroethyl)amino]butanamide?
2-[propyl(2,2,2-trifluoroethyl)amino]butanamide has a molecular weight of 226.24 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(2,2,2-trifluoroethyl)amino]butanamide is sourced from PubChem (CID 62900855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).