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

C10H21F3IN3O2 — CID 109471696

IUPAC1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESC/N=C(\NCCOCCOC)NCCC(F)(F)F.I
InChIInChI=1S/C10H20F3N3O2.HI/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);1H
InChIKeyPNBYMFSVLOMWPB-UHFFFAOYSA-N
MW399.20 g/mol
LogP1.38
Rot. Bonds8

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

1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide (PubChem CID 109471696) has the molecular formula C10H21F3IN3O2 and a molecular weight of 399.20 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
PubChem CID109471696
Molecular FormulaC10H21F3IN3O2
Molecular Weight399.20 g/mol
Exact Mass399.06
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESC/N=C(\NCCOCCOC)NCCC(F)(F)F.I
InChIInChI=1S/C10H20F3N3O2.HI/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);1H
InChIKeyPNBYMFSVLOMWPB-UHFFFAOYSA-N
XLogP1.38
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.20
LogP ≤ 51.38
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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
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;hydroiodide
CID 109471114
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
CID 109471697
1-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472272
2-Methyl-1-[2-(2-methylpropoxy)ethyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472554
2-Methyl-1-[2-(2-methylpropoxy)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472555
1-(2-Butoxyethyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472576

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide (CID 109471696) is 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide is C/N=C(\NCCOCCOC)NCCC(F)(F)F.I.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The InChIKey is PNBYMFSVLOMWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2.HI/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);1H.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide has a molecular weight of 399.20 g/mol, XLogP of 1.38, 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;hydroiodide is sourced from PubChem (CID 109471696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).