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

C7H13F2N3O — CID 104858991

IUPAC1-cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
SMILESN/C(=N\CC(F)(F)CO)NC1CC1
InChIInChI=1S/C7H13F2N3O/c8-7(9,4-13)3-11-6(10)12-5-1-2-5/h5,13H,1-4H2,(H3,10,11,12)
InChIKeyWLHHBUQNWCBWGX-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.32
Rot. Bonds4

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

1-cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine (PubChem CID 104858991) has the molecular formula C7H13F2N3O and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
PubChem CID104858991
Molecular FormulaC7H13F2N3O
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name1-cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
SMILESN/C(=N\CC(F)(F)CO)NC1CC1
InChIInChI=1S/C7H13F2N3O/c8-7(9,4-13)3-11-6(10)12-5-1-2-5/h5,13H,1-4H2,(H3,10,11,12)
InChIKeyWLHHBUQNWCBWGX-UHFFFAOYSA-N
XLogP-0.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.32
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-cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine (CID 104858991) is 1-cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine is N/C(=N\CC(F)(F)CO)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
The InChIKey is WLHHBUQNWCBWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O/c8-7(9,4-13)3-11-6(10)12-5-1-2-5/h5,13H,1-4H2,(H3,10,11,12).
What are the key properties of 1-cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
1-cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine has a molecular weight of 193.20 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine is sourced from PubChem (CID 104858991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).