2-(2-fluorocyclobutyl)guanidine

C5H10FN3 — CID 138545429

IUPAC2-(2-fluorocyclobutyl)guanidine
SMILESNC(N)=NC1CCC1F
InChIInChI=1S/C5H10FN3/c6-3-1-2-4(3)9-5(7)8/h3-4H,1-2H2,(H4,7,8,9)
InChIKeyMKRFZNQNCCNTPM-UHFFFAOYSA-N
MW131.15 g/mol
LogP-0.24
Rot. Bonds1

About 2-(2-fluorocyclobutyl)guanidine

2-(2-fluorocyclobutyl)guanidine (PubChem CID 138545429) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is 2-(2-fluorocyclobutyl)guanidine.

Molecular Properties

Compound Name2-(2-fluorocyclobutyl)guanidine
PubChem CID138545429
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC Name2-(2-fluorocyclobutyl)guanidine
SMILESNC(N)=NC1CCC1F
InChIInChI=1S/C5H10FN3/c6-3-1-2-4(3)9-5(7)8/h3-4H,1-2H2,(H4,7,8,9)
InChIKeyMKRFZNQNCCNTPM-UHFFFAOYSA-N
XLogP-0.24
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 5-0.24
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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Related Compounds

N''-cyclobutylguanidine
CID 20383377
2-(1-Fluoropropan-2-yl)guanidine
CID 88924930
1-(Diaminomethylidene)-2-(3,3-difluorocyclobutyl)guanidine
CID 117798736
2-(3-Fluorocyclobutyl)guanidine
CID 138545433
N'-(3,3-difluorocyclobutyl)methanimidamide
CID 152410087
2-(4-Fluorobutyl)guanidine
CID 126984563
2-(3,3-Difluorocyclobutyl)guanidine;hydroiodide
CID 130903113
2-(3,3-Difluorocyclobutyl)guanidine
CID 130903114
N'-cyclobutylmethanimidamide
CID 54346963
N'-cyclobutylmethanediimine
CID 147997587
2-Cyclobutyl-1-(diaminomethylidene)guanidine
CID 83036977
n-Cyclobutylguanidine hydrochloride
CID 164664033

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorocyclobutyl)guanidine?
The IUPAC name of 2-(2-fluorocyclobutyl)guanidine (CID 138545429) is 2-(2-fluorocyclobutyl)guanidine.
What is the SMILES notation for 2-(2-fluorocyclobutyl)guanidine?
The canonical SMILES for 2-(2-fluorocyclobutyl)guanidine is NC(N)=NC1CCC1F.
What is the InChIKey of 2-(2-fluorocyclobutyl)guanidine?
The InChIKey is MKRFZNQNCCNTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN3/c6-3-1-2-4(3)9-5(7)8/h3-4H,1-2H2,(H4,7,8,9).
What are the key properties of 2-(2-fluorocyclobutyl)guanidine?
2-(2-fluorocyclobutyl)guanidine has a molecular weight of 131.15 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorocyclobutyl)guanidine is sourced from PubChem (CID 138545429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).