1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine

C8H15F2N3O — CID 122095385

IUPAC1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
SMILESN/C(=N\CC(F)(F)CO)NC1CCC1
InChIInChI=1S/C8H15F2N3O/c9-8(10,5-14)4-12-7(11)13-6-2-1-3-6/h6,14H,1-5H2,(H3,11,12,13)
InChIKeyFLBWRKORQVRYTG-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.07
Rot. Bonds4

About 1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine

1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine (PubChem CID 122095385) has the molecular formula C8H15F2N3O and a molecular weight of 207.22 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
PubChem CID122095385
Molecular FormulaC8H15F2N3O
Molecular Weight207.22 g/mol
Exact Mass207.12
IUPAC Name1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
SMILESN/C(=N\CC(F)(F)CO)NC1CCC1
InChIInChI=1S/C8H15F2N3O/c9-8(10,5-14)4-12-7(11)13-6-2-1-3-6/h6,14H,1-5H2,(H3,11,12,13)
InChIKeyFLBWRKORQVRYTG-UHFFFAOYSA-N
XLogP0.07
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.07
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
The IUPAC name of 1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine (CID 122095385) is 1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine.
What is the SMILES notation for 1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
The canonical SMILES for 1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine is N/C(=N\CC(F)(F)CO)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
The InChIKey is FLBWRKORQVRYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O/c9-8(10,5-14)4-12-7(11)13-6-2-1-3-6/h6,14H,1-5H2,(H3,11,12,13).
What are the key properties of 1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine has a molecular weight of 207.22 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine is sourced from PubChem (CID 122095385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).