1-(2-fluoroethyl)-2,3-dimethylguanidine

C5H12FN3 — CID 90274200

IUPAC1-(2-fluoroethyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCF
InChIInChI=1S/C5H12FN3/c1-7-5(8-2)9-4-3-6/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyMBSSNTMNWOWJTF-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.25
Rot. Bonds2

About 1-(2-fluoroethyl)-2,3-dimethylguanidine

1-(2-fluoroethyl)-2,3-dimethylguanidine (PubChem CID 90274200) has the molecular formula C5H12FN3 and a molecular weight of 133.17 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2,3-dimethylguanidine
PubChem CID90274200
Molecular FormulaC5H12FN3
Molecular Weight133.17 g/mol
Exact Mass133.10
IUPAC Name1-(2-fluoroethyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCF
InChIInChI=1S/C5H12FN3/c1-7-5(8-2)9-4-3-6/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyMBSSNTMNWOWJTF-UHFFFAOYSA-N
XLogP-0.25
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.25
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'}

Analyze 1-(2-fluoroethyl)-2,3-dimethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2,3-dimethylguanidine?
The IUPAC name of 1-(2-fluoroethyl)-2,3-dimethylguanidine (CID 90274200) is 1-(2-fluoroethyl)-2,3-dimethylguanidine.
What is the SMILES notation for 1-(2-fluoroethyl)-2,3-dimethylguanidine?
The canonical SMILES for 1-(2-fluoroethyl)-2,3-dimethylguanidine is C/N=C(\NC)NCCF.
What is the InChIKey of 1-(2-fluoroethyl)-2,3-dimethylguanidine?
The InChIKey is MBSSNTMNWOWJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN3/c1-7-5(8-2)9-4-3-6/h3-4H2,1-2H3,(H2,7,8,9).
What are the key properties of 1-(2-fluoroethyl)-2,3-dimethylguanidine?
1-(2-fluoroethyl)-2,3-dimethylguanidine has a molecular weight of 133.17 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2,3-dimethylguanidine is sourced from PubChem (CID 90274200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).