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

C6H10F3N3O2 — CID 60848274

IUPAC2-amino-N-(2,2,2-trifluoroethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3N3O2/c7-6(8,9)2-12-5(14)3(10)1-4(11)13/h3H,1-2,10H2,(H2,11,13)(H,12,14)
InChIKeyJEAAKZDHJPNNOQ-UHFFFAOYSA-N
MW213.16 g/mol
LogP-1.13
Rot. Bonds4

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

2-amino-N-(2,2,2-trifluoroethyl)butanediamide (PubChem CID 60848274) has the molecular formula C6H10F3N3O2 and a molecular weight of 213.16 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2,2,2-trifluoroethyl)butanediamide
PubChem CID60848274
Molecular FormulaC6H10F3N3O2
Molecular Weight213.16 g/mol
Exact Mass213.07
IUPAC Name2-amino-N-(2,2,2-trifluoroethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3N3O2/c7-6(8,9)2-12-5(14)3(10)1-4(11)13/h3H,1-2,10H2,(H2,11,13)(H,12,14)
InChIKeyJEAAKZDHJPNNOQ-UHFFFAOYSA-N
XLogP-1.13
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)butanediamide?
The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)butanediamide (CID 60848274) is 2-amino-N-(2,2,2-trifluoroethyl)butanediamide.
What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)butanediamide?
The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)butanediamide is NC(=O)CC(N)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)butanediamide?
The InChIKey is JEAAKZDHJPNNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O2/c7-6(8,9)2-12-5(14)3(10)1-4(11)13/h3H,1-2,10H2,(H2,11,13)(H,12,14).
What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)butanediamide?
2-amino-N-(2,2,2-trifluoroethyl)butanediamide has a molecular weight of 213.16 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2,2-trifluoroethyl)butanediamide is sourced from PubChem (CID 60848274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).