2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide

C11H21F3N2O — CID 54871231

IUPAC2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(N)CCC
InChIInChI=1S/C11H21F3N2O/c1-3-5-7-16(8-11(12,13)14)10(17)9(15)6-4-2/h9H,3-8,15H2,1-2H3
InChIKeyWHXVIJPIRMBNQO-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.30
Rot. Bonds7

About 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide

2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 54871231) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID54871231
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(N)CCC
InChIInChI=1S/C11H21F3N2O/c1-3-5-7-16(8-11(12,13)14)10(17)9(15)6-4-2/h9H,3-8,15H2,1-2H3
InChIKeyWHXVIJPIRMBNQO-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 54871231) is 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide is CCCCN(CC(F)(F)F)C(=O)C(N)CCC.
What is the InChIKey of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is WHXVIJPIRMBNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-3-5-7-16(8-11(12,13)14)10(17)9(15)6-4-2/h9H,3-8,15H2,1-2H3.
What are the key properties of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide?
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 254.30 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 54871231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).