N'-(2-fluoroethyl)-3-iminopropanimidamide

C5H10FN3 — CID 123394407

IUPACN'-(2-fluoroethyl)-3-iminopropanimidamide
SMILES[H]/N=C/C/C(N)=N/CCF
InChIInChI=1S/C5H10FN3/c6-2-4-9-5(8)1-3-7/h3,7H,1-2,4H2,(H2,8,9)/b7-3+
InChIKeyFYFWXUVCJCUCKH-XVNBXDOJSA-N
MW131.15 g/mol
LogP0.35
Rot. Bonds4

About N'-(2-fluoroethyl)-3-iminopropanimidamide

N'-(2-fluoroethyl)-3-iminopropanimidamide (PubChem CID 123394407) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is N'-(2-fluoroethyl)-3-iminopropanimidamide.

Molecular Properties

Compound NameN'-(2-fluoroethyl)-3-iminopropanimidamide
PubChem CID123394407
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC NameN'-(2-fluoroethyl)-3-iminopropanimidamide
SMILES[H]/N=C/C/C(N)=N/CCF
InChIInChI=1S/C5H10FN3/c6-2-4-9-5(8)1-3-7/h3,7H,1-2,4H2,(H2,8,9)/b7-3+
InChIKeyFYFWXUVCJCUCKH-XVNBXDOJSA-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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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoroethyl)-3-iminopropanimidamide?
The IUPAC name of N'-(2-fluoroethyl)-3-iminopropanimidamide (CID 123394407) is N'-(2-fluoroethyl)-3-iminopropanimidamide.
What is the SMILES notation for N'-(2-fluoroethyl)-3-iminopropanimidamide?
The canonical SMILES for N'-(2-fluoroethyl)-3-iminopropanimidamide is [H]/N=C/C/C(N)=N/CCF.
What is the InChIKey of N'-(2-fluoroethyl)-3-iminopropanimidamide?
The InChIKey is FYFWXUVCJCUCKH-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H10FN3/c6-2-4-9-5(8)1-3-7/h3,7H,1-2,4H2,(H2,8,9)/b7-3+.
What are the key properties of N'-(2-fluoroethyl)-3-iminopropanimidamide?
N'-(2-fluoroethyl)-3-iminopropanimidamide 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 N'-(2-fluoroethyl)-3-iminopropanimidamide is sourced from PubChem (CID 123394407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).