2-(2-fluoroethyl)guanidine

C3H8FN3 — CID 55288590

IUPAC2-(2-fluoroethyl)guanidine
SMILESNC(N)=NCCF
InChIInChI=1S/C3H8FN3/c4-1-2-7-3(5)6/h1-2H2,(H4,5,6,7)
InChIKeyOHPZREWMCXFPHQ-UHFFFAOYSA-N
MW105.12 g/mol
LogP-0.77
Rot. Bonds2

About 2-(2-fluoroethyl)guanidine

2-(2-fluoroethyl)guanidine (PubChem CID 55288590) has the molecular formula C3H8FN3 and a molecular weight of 105.12 g/mol. Its IUPAC name is 2-(2-fluoroethyl)guanidine.

Molecular Properties

Compound Name2-(2-fluoroethyl)guanidine
PubChem CID55288590
Molecular FormulaC3H8FN3
Molecular Weight105.12 g/mol
Exact Mass105.07
IUPAC Name2-(2-fluoroethyl)guanidine
SMILESNC(N)=NCCF
InChIInChI=1S/C3H8FN3/c4-1-2-7-3(5)6/h1-2H2,(H4,5,6,7)
InChIKeyOHPZREWMCXFPHQ-UHFFFAOYSA-N
XLogP-0.77
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.12
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(2-fluoroethyl)guanidine?
The IUPAC name of 2-(2-fluoroethyl)guanidine (CID 55288590) is 2-(2-fluoroethyl)guanidine.
What is the SMILES notation for 2-(2-fluoroethyl)guanidine?
The canonical SMILES for 2-(2-fluoroethyl)guanidine is NC(N)=NCCF.
What is the InChIKey of 2-(2-fluoroethyl)guanidine?
The InChIKey is OHPZREWMCXFPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FN3/c4-1-2-7-3(5)6/h1-2H2,(H4,5,6,7).
What are the key properties of 2-(2-fluoroethyl)guanidine?
2-(2-fluoroethyl)guanidine has a molecular weight of 105.12 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)guanidine is sourced from PubChem (CID 55288590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).