1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine

C7H14F3N3O — CID 111466138

IUPAC1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine
SMILESCOCCN/C(N)=N/CCC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-14-5-4-13-6(11)12-3-2-7(8,9)10/h2-5H2,1H3,(H3,11,12,13)
InChIKeySKPITYSCERCBKS-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.49
Rot. Bonds5

About 1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine

1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine (PubChem CID 111466138) has the molecular formula C7H14F3N3O and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine
PubChem CID111466138
Molecular FormulaC7H14F3N3O
Molecular Weight213.20 g/mol
Exact Mass213.11
IUPAC Name1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine
SMILESCOCCN/C(N)=N/CCC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-14-5-4-13-6(11)12-3-2-7(8,9)10/h2-5H2,1H3,(H3,11,12,13)
InChIKeySKPITYSCERCBKS-UHFFFAOYSA-N
XLogP0.49
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.49
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'}

Analyze 1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethylguanidine
CID 103090734
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;hydroiodide
CID 109471414

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine (CID 111466138) is 1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine is COCCN/C(N)=N/CCC(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is SKPITYSCERCBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O/c1-14-5-4-13-6(11)12-3-2-7(8,9)10/h2-5H2,1H3,(H3,11,12,13).
What are the key properties of 1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine?
1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 213.20 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 111466138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).