1-ethyl-2-(2-fluoroethyl)guanidine

C5H12FN3 — CID 126973617

IUPAC1-ethyl-2-(2-fluoroethyl)guanidine
SMILESCCN/C(N)=N/CCF
InChIInChI=1S/C5H12FN3/c1-2-8-5(7)9-4-3-6/h2-4H2,1H3,(H3,7,8,9)
InChIKeyNJCOCFCNVUJFNP-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.12
Rot. Bonds3

About 1-ethyl-2-(2-fluoroethyl)guanidine

1-ethyl-2-(2-fluoroethyl)guanidine (PubChem CID 126973617) has the molecular formula C5H12FN3 and a molecular weight of 133.17 g/mol. Its IUPAC name is 1-ethyl-2-(2-fluoroethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-fluoroethyl)guanidine
PubChem CID126973617
Molecular FormulaC5H12FN3
Molecular Weight133.17 g/mol
Exact Mass133.10
IUPAC Name1-ethyl-2-(2-fluoroethyl)guanidine
SMILESCCN/C(N)=N/CCF
InChIInChI=1S/C5H12FN3/c1-2-8-5(7)9-4-3-6/h2-4H2,1H3,(H3,7,8,9)
InChIKeyNJCOCFCNVUJFNP-UHFFFAOYSA-N
XLogP-0.12
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.12
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 1-ethyl-2-(2-fluoroethyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-fluoroethyl)guanidine (CID 126973617) is 1-ethyl-2-(2-fluoroethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-fluoroethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-fluoroethyl)guanidine is CCN/C(N)=N/CCF.
What is the InChIKey of 1-ethyl-2-(2-fluoroethyl)guanidine?
The InChIKey is NJCOCFCNVUJFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN3/c1-2-8-5(7)9-4-3-6/h2-4H2,1H3,(H3,7,8,9).
What are the key properties of 1-ethyl-2-(2-fluoroethyl)guanidine?
1-ethyl-2-(2-fluoroethyl)guanidine has a molecular weight of 133.17 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-fluoroethyl)guanidine is sourced from PubChem (CID 126973617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).