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

C7H15F2N3O — CID 103090734

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CCOCC(F)F
InChIInChI=1S/C7H15F2N3O/c1-2-11-7(10)12-3-4-13-5-6(8)9/h6H,2-5H2,1H3,(H3,10,11,12)
InChIKeyVOKKDIIPVYZJQY-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.19
Rot. Bonds6

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

2-[2-(2,2-difluoroethoxy)ethyl]-1-ethylguanidine (PubChem CID 103090734) has the molecular formula C7H15F2N3O and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-1-ethylguanidine
PubChem CID103090734
Molecular FormulaC7H15F2N3O
Molecular Weight195.21 g/mol
Exact Mass195.12
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CCOCC(F)F
InChIInChI=1S/C7H15F2N3O/c1-2-11-7(10)12-3-4-13-5-6(8)9/h6H,2-5H2,1H3,(H3,10,11,12)
InChIKeyVOKKDIIPVYZJQY-UHFFFAOYSA-N
XLogP0.19
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.19
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

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
N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 103090727
1-[2-(2,2-Difluoroethoxy)ethyl]-2-methylguanidine
CID 103090728
1-[2-(2,2-Difluoroethoxy)ethyl]-2-(2-methylpropyl)guanidine
CID 103090733
2-[2-(2,2-Difluoroethoxy)ethyl]-1-propan-2-ylguanidine
CID 103090736
1-[2-(2,2-Difluoroethoxy)ethyl]-2-propylguanidine
CID 103090737
1-(2-Butoxyethyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471415
1-(2-Butoxyethyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472576

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-1-ethylguanidine?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-1-ethylguanidine (CID 103090734) is 2-[2-(2,2-difluoroethoxy)ethyl]-1-ethylguanidine.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-1-ethylguanidine?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-1-ethylguanidine is CCN/C(N)=N/CCOCC(F)F.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-1-ethylguanidine?
The InChIKey is VOKKDIIPVYZJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O/c1-2-11-7(10)12-3-4-13-5-6(8)9/h6H,2-5H2,1H3,(H3,10,11,12).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-1-ethylguanidine?
2-[2-(2,2-difluoroethoxy)ethyl]-1-ethylguanidine has a molecular weight of 195.21 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-1-ethylguanidine is sourced from PubChem (CID 103090734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).