3-(2-fluoroethylimino)propanimidamide

C5H10FN3 — CID 123564220

IUPAC3-(2-fluoroethylimino)propanimidamide
SMILES[H]/N=C(\N)C/C=N/CCF
InChIInChI=1S/C5H10FN3/c6-2-4-9-3-1-5(7)8/h3H,1-2,4H2,(H3,7,8)/b9-3+
InChIKeyAOVYQGPHQNWGME-YCRREMRBSA-N
MW131.15 g/mol
LogP0.35
Rot. Bonds4

About 3-(2-fluoroethylimino)propanimidamide

3-(2-fluoroethylimino)propanimidamide (PubChem CID 123564220) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is 3-(2-fluoroethylimino)propanimidamide.

Molecular Properties

Compound Name3-(2-fluoroethylimino)propanimidamide
PubChem CID123564220
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC Name3-(2-fluoroethylimino)propanimidamide
SMILES[H]/N=C(\N)C/C=N/CCF
InChIInChI=1S/C5H10FN3/c6-2-4-9-3-1-5(7)8/h3H,1-2,4H2,(H3,7,8)/b9-3+
InChIKeyAOVYQGPHQNWGME-YCRREMRBSA-N
XLogP0.35
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.35
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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Related Compounds

N'-(2-fluoroethyl)-3-iminopropanimidamide
CID 123394407
2-Fluoro-3-iminopropanimidamide
CID 123595313
2-(Propylideneamino)ethanimidamide
CID 58218957
N-propylidenepropanimidamide
CID 122651464
3-Propyliminopropanimidamide
CID 123188032
3-Methyliminopropanimidamide
CID 123915559
3-Ethyliminopropanimidamide
CID 123918170
3-(Methyliminomethylimino)propanimidamide
CID 138546342
N-propylideneethanimidamide
CID 145265956
N-ethylidenepropanimidamide
CID 147508349
N-butylidene-2-iminoethanimidamide
CID 153377695
2-imino-N-propylideneethanimidamide
CID 153377705

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylimino)propanimidamide?
The IUPAC name of 3-(2-fluoroethylimino)propanimidamide (CID 123564220) is 3-(2-fluoroethylimino)propanimidamide.
What is the SMILES notation for 3-(2-fluoroethylimino)propanimidamide?
The canonical SMILES for 3-(2-fluoroethylimino)propanimidamide is [H]/N=C(\N)C/C=N/CCF.
What is the InChIKey of 3-(2-fluoroethylimino)propanimidamide?
The InChIKey is AOVYQGPHQNWGME-YCRREMRBSA-N. The full InChI is InChI=1S/C5H10FN3/c6-2-4-9-3-1-5(7)8/h3H,1-2,4H2,(H3,7,8)/b9-3+.
What are the key properties of 3-(2-fluoroethylimino)propanimidamide?
3-(2-fluoroethylimino)propanimidamide has a molecular weight of 131.15 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylimino)propanimidamide is sourced from PubChem (CID 123564220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).