1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine

C10H17F2N3O — CID 120514514

IUPAC1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine
SMILESN/C(=N\CC1CCCO1)NC1CC(F)(F)C1
InChIInChI=1S/C10H17F2N3O/c11-10(12)4-7(5-10)15-9(13)14-6-8-2-1-3-16-8/h7-8H,1-6H2,(H3,13,14,15)
InChIKeyVWCDBLDKGFZEEJ-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.87
Rot. Bonds3

About 1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine

1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine (PubChem CID 120514514) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine
PubChem CID120514514
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine
SMILESN/C(=N\CC1CCCO1)NC1CC(F)(F)C1
InChIInChI=1S/C10H17F2N3O/c11-10(12)4-7(5-10)15-9(13)14-6-8-2-1-3-16-8/h7-8H,1-6H2,(H3,13,14,15)
InChIKeyVWCDBLDKGFZEEJ-UHFFFAOYSA-N
XLogP0.87
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
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

2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
CID 122125944
1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(oxolan-2-ylmethyl)guanidine
CID 122126043
2-(oxolan-2-ylmethyl)-1-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine
CID 122082572
2-(oxolan-2-ylmethyl)-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109394149
2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111478634
2-methyl-N'-(oxan-2-ylmethyl)propanimidamide
CID 63177019
N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide
CID 110917892
N-[3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752321
1-(3,4-dihydro-2H-chromen-4-yl)-2-(oxolan-2-ylmethyl)guanidine
CID 110913382
1-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine
CID 120973129
2-[(2-tert-butyloxan-3-yl)methyl]-1-cyclopropylguanidine
CID 111428540
1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine
CID 104884451

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine (CID 120514514) is 1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine is N/C(=N\CC1CCCO1)NC1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine?
The InChIKey is VWCDBLDKGFZEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c11-10(12)4-7(5-10)15-9(13)14-6-8-2-1-3-16-8/h7-8H,1-6H2,(H3,13,14,15).
What are the key properties of 1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine?
1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine has a molecular weight of 233.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 120514514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).