1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine

C9H15F2N3 — CID 120514536

IUPAC1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NC1CC(F)(F)C1
InChIInChI=1S/C9H15F2N3/c1-6(2)5-13-8(12)14-7-3-9(10,11)4-7/h7H,1,3-5H2,2H3,(H3,12,13,14)
InChIKeyQFZZWVCRUZUKEN-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.26
Rot. Bonds3

About 1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine

1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine (PubChem CID 120514536) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine
PubChem CID120514536
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NC1CC(F)(F)C1
InChIInChI=1S/C9H15F2N3/c1-6(2)5-13-8(12)14-7-3-9(10,11)4-7/h7H,1,3-5H2,2H3,(H3,12,13,14)
InChIKeyQFZZWVCRUZUKEN-UHFFFAOYSA-N
XLogP1.26
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.26
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-[(2S)-butan-2-yl]-5-(trifluoromethyl)-1,4-dihydropyrimidine-2,4-diamine
CID 126756096
2-(2-Methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800815
2-(2-Methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine
CID 111800816
2-(2-Methylprop-2-enyl)-1-(5,5,5-trifluoropentyl)guanidine
CID 112412214
1-(3,3-Difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 120514535
1-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-(2-methylprop-2-enyl)guanidine
CID 121767231
1-[(3,3-Difluorocyclobutyl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 121855791
1-[(3,3-Difluorocyclobutyl)methyl]-2-(2-methylprop-2-enyl)guanidine
CID 121855792
1-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 121767230
1-Cyclobutyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 131101960
1-Cyclobutyl-2-(2-methylprop-2-enyl)guanidine
CID 131101961

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine (CID 120514536) is 1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NC1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is QFZZWVCRUZUKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-6(2)5-13-8(12)14-7-3-9(10,11)4-7/h7H,1,3-5H2,2H3,(H3,12,13,14).
What are the key properties of 1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine?
1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 203.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 120514536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).