1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine

C10H20F3N3O2 — CID 109471697

IUPAC1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NCCOCCOC)NCCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-14-9(15-4-3-10(11,12)13)16-5-6-18-8-7-17-2/h3-8H2,1-2H3,(H2,14,15,16)
InChIKeyLNRWGVIYMWIPIL-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.77
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine

1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109471697) has the molecular formula C10H20F3N3O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID109471697
Molecular FormulaC10H20F3N3O2
Molecular Weight271.28 g/mol
Exact Mass271.15
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NCCOCCOC)NCCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-14-9(15-4-3-10(11,12)13)16-5-6-18-8-7-17-2/h3-8H2,1-2H3,(H2,14,15,16)
InChIKeyLNRWGVIYMWIPIL-UHFFFAOYSA-N
XLogP0.77
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-Propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 63362587
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-[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
2-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471115
1-(2-Butoxyethyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471414
1-(2-Butoxyethyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471415
1-[2-(2-Methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471696
1-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472273
2-Methyl-1-[2-(2-methylpropoxy)ethyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472554

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (CID 109471697) is 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine is C/N=C(\NCCOCCOC)NCCC(F)(F)F.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is LNRWGVIYMWIPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2/c1-14-9(15-4-3-10(11,12)13)16-5-6-18-8-7-17-2/h3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 271.28 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109471697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).