1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine

C8H16F3N3O — CID 109472995

IUPAC1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CCC(F)(F)F)NCCO
InChIInChI=1S/C8H16F3N3O/c1-2-12-7(14-5-6-15)13-4-3-8(9,10)11/h15H,2-6H2,1H3,(H2,12,13,14)
InChIKeyQUOVIGLZSTZGPU-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.49
Rot. Bonds5

About 1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine

1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109472995) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine
PubChem CID109472995
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CCC(F)(F)F)NCCO
InChIInChI=1S/C8H16F3N3O/c1-2-12-7(14-5-6-15)13-4-3-8(9,10)11/h15H,2-6H2,1H3,(H2,12,13,14)
InChIKeyQUOVIGLZSTZGPU-UHFFFAOYSA-N
XLogP0.49
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine (CID 109472995) is 1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine is CCN/C(=N\CCC(F)(F)F)NCCO.
What is the InChIKey of 1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is QUOVIGLZSTZGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-2-12-7(14-5-6-15)13-4-3-8(9,10)11/h15H,2-6H2,1H3,(H2,12,13,14).
What are the key properties of 1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine?
1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 227.23 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxyethyl)-2-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109472995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).