2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide

C6H12FN3O — CID 131223001

IUPAC2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide
SMILESC/C(N)=N\CC(=O)NCCF
InChIInChI=1S/C6H12FN3O/c1-5(8)10-4-6(11)9-3-2-7/h2-4H2,1H3,(H2,8,10)(H,9,11)
InChIKeyPBWIDQCHSCACAI-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.55
Rot. Bonds4

About 2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide

2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide (PubChem CID 131223001) has the molecular formula C6H12FN3O and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide
PubChem CID131223001
Molecular FormulaC6H12FN3O
Molecular Weight161.18 g/mol
Exact Mass161.10
IUPAC Name2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide
SMILESC/C(N)=N\CC(=O)NCCF
InChIInChI=1S/C6H12FN3O/c1-5(8)10-4-6(11)9-3-2-7/h2-4H2,1H3,(H2,8,10)(H,9,11)
InChIKeyPBWIDQCHSCACAI-UHFFFAOYSA-N
XLogP-0.55
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide?
The IUPAC name of 2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide (CID 131223001) is 2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide.
What is the SMILES notation for 2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide?
The canonical SMILES for 2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide is C/C(N)=N\CC(=O)NCCF.
What is the InChIKey of 2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide?
The InChIKey is PBWIDQCHSCACAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN3O/c1-5(8)10-4-6(11)9-3-2-7/h2-4H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of 2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide?
2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide has a molecular weight of 161.18 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide is sourced from PubChem (CID 131223001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).