2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide

C8H14F3N3O3 — CID 55260694

IUPAC2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H14F3N3O3/c9-8(10,11)4-17-2-1-14-7(16)5(12)3-6(13)15/h5H,1-4,12H2,(H2,13,15)(H,14,16)
InChIKeyHFMZPWUIRRUCAJ-UHFFFAOYSA-N
MW257.21 g/mol
LogP-1.12
Rot. Bonds7

About 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide

2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide (PubChem CID 55260694) has the molecular formula C8H14F3N3O3 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide
PubChem CID55260694
Molecular FormulaC8H14F3N3O3
Molecular Weight257.21 g/mol
Exact Mass257.10
IUPAC Name2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H14F3N3O3/c9-8(10,11)4-17-2-1-14-7(16)5(12)3-6(13)15/h5H,1-4,12H2,(H2,13,15)(H,14,16)
InChIKeyHFMZPWUIRRUCAJ-UHFFFAOYSA-N
XLogP-1.12
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide
CID 170312273
2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanediamide
CID 54874860
1-Propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
CID 55260876
1-Cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
CID 55260877
N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 60734502
N-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 60734535
N-pentan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 60734569
2-amino-N-(2,2,2-trifluoroethyl)butanediamide
CID 60848274
2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)butanediamide
CID 60946570
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 61490682
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 61490684
2-amino-N-(3,3,3-trifluoropropyl)butanediamide
CID 63227148

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide?
The IUPAC name of 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide (CID 55260694) is 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide.
What is the SMILES notation for 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide?
The canonical SMILES for 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide is NC(=O)CC(N)C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide?
The InChIKey is HFMZPWUIRRUCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O3/c9-8(10,11)4-17-2-1-14-7(16)5(12)3-6(13)15/h5H,1-4,12H2,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide?
2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide has a molecular weight of 257.21 g/mol, XLogP of -1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanediamide is sourced from PubChem (CID 55260694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).