2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine

C10H19F3N4O — CID 110916962

IUPAC2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
SMILESCOCC/N=C(\N)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H19F3N4O/c1-18-5-3-15-9(14)16-8-2-4-17(6-8)7-10(11,12)13/h8H,2-7H2,1H3,(H3,14,15,16)
InChIKeyVHAGNWLZZGEODO-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.17
Rot. Bonds5

About 2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine

2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine (PubChem CID 110916962) has the molecular formula C10H19F3N4O and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
PubChem CID110916962
Molecular FormulaC10H19F3N4O
Molecular Weight268.28 g/mol
Exact Mass268.15
IUPAC Name2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
SMILESCOCC/N=C(\N)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H19F3N4O/c1-18-5-3-15-9(14)16-8-2-4-17(6-8)7-10(11,12)13/h8H,2-7H2,1H3,(H3,14,15,16)
InChIKeyVHAGNWLZZGEODO-UHFFFAOYSA-N
XLogP0.17
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
The IUPAC name of 2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine (CID 110916962) is 2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine.
What is the SMILES notation for 2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
The canonical SMILES for 2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine is COCC/N=C(\N)NC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
The InChIKey is VHAGNWLZZGEODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O/c1-18-5-3-15-9(14)16-8-2-4-17(6-8)7-10(11,12)13/h8H,2-7H2,1H3,(H3,14,15,16).
What are the key properties of 2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine has a molecular weight of 268.28 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine is sourced from PubChem (CID 110916962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).