2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine

C8H16FN3 — CID 130625788

IUPAC2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/CC1(F)CCC1
InChIInChI=1S/C8H16FN3/c1-12(2)7(10)11-6-8(9)4-3-5-8/h3-6H2,1-2H3,(H2,10,11)
InChIKeyFSJUIIFHHIPJLX-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.75
Rot. Bonds2

About 2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine

2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine (PubChem CID 130625788) has the molecular formula C8H16FN3 and a molecular weight of 173.23 g/mol. Its IUPAC name is 2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine
PubChem CID130625788
Molecular FormulaC8H16FN3
Molecular Weight173.23 g/mol
Exact Mass173.13
IUPAC Name2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/CC1(F)CCC1
InChIInChI=1S/C8H16FN3/c1-12(2)7(10)11-6-8(9)4-3-5-8/h3-6H2,1-2H3,(H2,10,11)
InChIKeyFSJUIIFHHIPJLX-UHFFFAOYSA-N
XLogP0.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(1-fluorocyclobutyl)methyl]-1,1-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 2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine?
The IUPAC name of 2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine (CID 130625788) is 2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine?
The canonical SMILES for 2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine is CN(C)/C(N)=N/CC1(F)CCC1.
What is the InChIKey of 2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine?
The InChIKey is FSJUIIFHHIPJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3/c1-12(2)7(10)11-6-8(9)4-3-5-8/h3-6H2,1-2H3,(H2,10,11).
What are the key properties of 2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine?
2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine has a molecular weight of 173.23 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-fluorocyclobutyl)methyl]-1,1-dimethylguanidine is sourced from PubChem (CID 130625788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).