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

C10H19F2N3O — CID 104859000

IUPAC1-cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
SMILESN/C(=N\CC(F)(F)CO)NC1CCCCC1
InChIInChI=1S/C10H19F2N3O/c11-10(12,7-16)6-14-9(13)15-8-4-2-1-3-5-8/h8,16H,1-7H2,(H3,13,14,15)
InChIKeyVFVGQNRJGCNCKK-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.85
Rot. Bonds4

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

1-cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine (PubChem CID 104859000) has the molecular formula C10H19F2N3O and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
PubChem CID104859000
Molecular FormulaC10H19F2N3O
Molecular Weight235.28 g/mol
Exact Mass235.15
IUPAC Name1-cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
SMILESN/C(=N\CC(F)(F)CO)NC1CCCCC1
InChIInChI=1S/C10H19F2N3O/c11-10(12,7-16)6-14-9(13)15-8-4-2-1-3-5-8/h8,16H,1-7H2,(H3,13,14,15)
InChIKeyVFVGQNRJGCNCKK-UHFFFAOYSA-N
XLogP0.85
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.85
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-cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine (CID 104859000) is 1-cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine is N/C(=N\CC(F)(F)CO)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
The InChIKey is VFVGQNRJGCNCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3O/c11-10(12,7-16)6-14-9(13)15-8-4-2-1-3-5-8/h8,16H,1-7H2,(H3,13,14,15).
What are the key properties of 1-cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
1-cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine has a molecular weight of 235.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine is sourced from PubChem (CID 104859000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).