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

C8H14F3N3O3 — CID 54874860

IUPAC2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3N3O3/c9-8(10,11)4-14(1-2-15)7(17)5(12)3-6(13)16/h5,15H,1-4,12H2,(H2,13,16)
InChIKeyJOXQVQUMMFIYFG-UHFFFAOYSA-N
MW257.21 g/mol
LogP-1.43
Rot. Bonds6

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

2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide (PubChem CID 54874860) has the molecular formula C8H14F3N3O3 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide
PubChem CID54874860
Molecular FormulaC8H14F3N3O3
Molecular Weight257.21 g/mol
Exact Mass257.10
IUPAC Name2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3N3O3/c9-8(10,11)4-14(1-2-15)7(17)5(12)3-6(13)16/h5,15H,1-4,12H2,(H2,13,16)
InChIKeyJOXQVQUMMFIYFG-UHFFFAOYSA-N
XLogP-1.43
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide (CID 54874860) is 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide is NC(=O)CC(N)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide?
The InChIKey is JOXQVQUMMFIYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O3/c9-8(10,11)4-14(1-2-15)7(17)5(12)3-6(13)16/h5,15H,1-4,12H2,(H2,13,16).
What are the key properties of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide?
2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide has a molecular weight of 257.21 g/mol, XLogP of -1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide is sourced from PubChem (CID 54874860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).