1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine

C9H16F3N3 — CID 136926181

IUPAC1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine
SMILESC=CCN/C(=N/CCC(F)(F)F)NCC
InChIInChI=1S/C9H16F3N3/c1-3-6-14-8(13-4-2)15-7-5-9(10,11)12/h3H,1,4-7H2,2H3,(H2,13,14,15)
InChIKeyUAFLXEDFAZEABD-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.68
Rot. Bonds5

About 1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine

1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine (PubChem CID 136926181) has the molecular formula C9H16F3N3 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine
PubChem CID136926181
Molecular FormulaC9H16F3N3
Molecular Weight223.24 g/mol
Exact Mass223.13
IUPAC Name1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine
SMILESC=CCN/C(=N/CCC(F)(F)F)NCC
InChIInChI=1S/C9H16F3N3/c1-3-6-14-8(13-4-2)15-7-5-9(10,11)12/h3H,1,4-7H2,2H3,(H2,13,14,15)
InChIKeyUAFLXEDFAZEABD-UHFFFAOYSA-N
XLogP1.68
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-1-methyl-1-pent-4-enyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109496213
1,2-Dimethyl-1-pent-4-enyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109497268
2-(2,2-Difluoroethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine
CID 109497288
3-(2,2-Difluoroethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109497790
2-Methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110982048
2-Methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-prop-2-enylguanidine
CID 110982049
2-Methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111548418
2-Methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111548419
2-(2-Methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine
CID 111800816
2-methyl-1-[(E)-pent-3-enyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111986501
1-ethyl-3-[(E)-pent-3-enyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 111986505
2-Methyl-1-prop-2-enyl-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 112430044

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine (CID 136926181) is 1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine is C=CCN/C(=N/CCC(F)(F)F)NCC.
What is the InChIKey of 1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is UAFLXEDFAZEABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3/c1-3-6-14-8(13-4-2)15-7-5-9(10,11)12/h3H,1,4-7H2,2H3,(H2,13,14,15).
What are the key properties of 1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine?
1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 223.24 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 136926181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).