1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine

C8H17F2N3O — CID 103090737

IUPAC1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCOCC(F)F
InChIInChI=1S/C8H17F2N3O/c1-2-3-12-8(11)13-4-5-14-6-7(9)10/h7H,2-6H2,1H3,(H3,11,12,13)
InChIKeyCZJIWMDFBRMFFY-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.58
Rot. Bonds7

About 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine

1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine (PubChem CID 103090737) has the molecular formula C8H17F2N3O and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine
PubChem CID103090737
Molecular FormulaC8H17F2N3O
Molecular Weight209.24 g/mol
Exact Mass209.13
IUPAC Name1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCOCC(F)F
InChIInChI=1S/C8H17F2N3O/c1-2-3-12-8(11)13-4-5-14-6-7(9)10/h7H,2-6H2,1H3,(H3,11,12,13)
InChIKeyCZJIWMDFBRMFFY-UHFFFAOYSA-N
XLogP0.58
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

hDDAH-1-IN-1
CID 46215975
1-Cyano-3-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(3-fluoropropyl)guanidine
CID 153333266
2-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 62406047
1-Propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 63362587
1-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 63362590
2-Propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 63363233
2-(2-Methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 63363234
1-Tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 63363235
1-Butyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 75532857
1-Butyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 75532858
1-[2-(2,2-Difluoroethoxy)ethyl]-2-methylguanidine
CID 103090728
1-[2-(2,2-Difluoroethoxy)ethyl]-2-(2-methylpropyl)guanidine
CID 103090733

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine (CID 103090737) is 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine is CCC/N=C(\N)NCCOCC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine?
The InChIKey is CZJIWMDFBRMFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O/c1-2-3-12-8(11)13-4-5-14-6-7(9)10/h7H,2-6H2,1H3,(H3,11,12,13).
What are the key properties of 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine?
1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine has a molecular weight of 209.24 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylguanidine is sourced from PubChem (CID 103090737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).