3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide

C10H19F3N2O — CID 60946145

IUPAC3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CC(C)N
InChIInChI=1S/C10H19F3N2O/c1-3-4-5-15(7-10(11,12)13)9(16)6-8(2)14/h8H,3-7,14H2,1-2H3
InChIKeyWWUMYDSVNZSHSQ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.91
Rot. Bonds6

About 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide

3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 60946145) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID60946145
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CC(C)N
InChIInChI=1S/C10H19F3N2O/c1-3-4-5-15(7-10(11,12)13)9(16)6-8(2)14/h8H,3-7,14H2,1-2H3
InChIKeyWWUMYDSVNZSHSQ-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide (CID 60946145) is 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide is CCCCN(CC(F)(F)F)C(=O)CC(C)N.
What is the InChIKey of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is WWUMYDSVNZSHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-3-4-5-15(7-10(11,12)13)9(16)6-8(2)14/h8H,3-7,14H2,1-2H3.
What are the key properties of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide?
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 240.27 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 60946145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).