1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine

C6H11F2N5 — CID 176530591

IUPAC1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/C1CC(F)(F)C1
InChIInChI=1S/C6H11F2N5/c7-6(8)1-3(2-6)12-5(11)13-4(9)10/h3H,1-2H2,(H6,9,10,11,12,13)
InChIKeyGTGSBHJXKPBZNM-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.42
Rot. Bonds1

About 1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine

1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine (PubChem CID 176530591) has the molecular formula C6H11F2N5 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine
PubChem CID176530591
Molecular FormulaC6H11F2N5
Molecular Weight191.19 g/mol
Exact Mass191.10
IUPAC Name1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/C1CC(F)(F)C1
InChIInChI=1S/C6H11F2N5/c7-6(8)1-3(2-6)12-5(11)13-4(9)10/h3H,1-2H2,(H6,9,10,11,12,13)
InChIKeyGTGSBHJXKPBZNM-UHFFFAOYSA-N
XLogP-0.42
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
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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Related Compounds

1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid
CID 176517926
1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine
CID 176547008
1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine
CID 176546957
2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine
CID 176524021
N-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 176542819
1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
2-(3,3-difluorocyclobutyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 120514445
1-carbamimidoylguanidine;ethane;dihydrate
CID 176527155
1-carbamimidoylguanidine;methane
CID 176544517
bis(1-carbamimidoylguanidine);dihydrochloride
CID 176545553
tris(1-carbamimidoylguanidine);cobalt(3+)
CID 135534766
2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 120514493

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine (CID 176530591) is 1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine is [H]/N=C(\N)N/C(N)=N/C1CC(F)(F)C1.
What is the InChIKey of 1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine?
The InChIKey is GTGSBHJXKPBZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N5/c7-6(8)1-3(2-6)12-5(11)13-4(9)10/h3H,1-2H2,(H6,9,10,11,12,13).
What are the key properties of 1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine?
1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine has a molecular weight of 191.19 g/mol, XLogP of -0.42, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine is sourced from PubChem (CID 176530591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).