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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Related Compounds

CID 63363233
CID 63363233
CID 103090737
CID 103090737
CID 103635627
CID 103635627
CID 103734424
CID 103734424
CID 103734425
CID 103734425
CID 103734426
CID 103734426
CID 103734427
CID 103734427
CID 104858996
CID 104858996
CID 109472577
CID 109472577
CID 109472758
CID 109472758
CID 109472759
CID 109472759
CID 109472994
CID 109472994

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).