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

C10H18F3N3O2 — CID 54871257

IUPAC2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(N)CC(N)=O
InChIInChI=1S/C10H18F3N3O2/c1-2-3-4-16(6-10(11,12)13)9(18)7(14)5-8(15)17/h7H,2-6,14H2,1H3,(H2,15,17)
InChIKeyQLYBTBKKHAFNAZ-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.38
Rot. Bonds7

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

2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide (PubChem CID 54871257) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide
PubChem CID54871257
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(N)CC(N)=O
InChIInChI=1S/C10H18F3N3O2/c1-2-3-4-16(6-10(11,12)13)9(18)7(14)5-8(15)17/h7H,2-6,14H2,1H3,(H2,15,17)
InChIKeyQLYBTBKKHAFNAZ-UHFFFAOYSA-N
XLogP0.38
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide?
The IUPAC name of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide (CID 54871257) is 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide.
What is the SMILES notation for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide?
The canonical SMILES for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide is CCCCN(CC(F)(F)F)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide?
The InChIKey is QLYBTBKKHAFNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-2-3-4-16(6-10(11,12)13)9(18)7(14)5-8(15)17/h7H,2-6,14H2,1H3,(H2,15,17).
What are the key properties of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide?
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide has a molecular weight of 269.27 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanediamide is sourced from PubChem (CID 54871257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).