1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine

C8H16F3N3 — CID 62362805

IUPAC1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCC/N=C(\N)N(CC)CC(F)(F)F
InChIInChI=1S/C8H16F3N3/c1-3-5-13-7(12)14(4-2)6-8(9,10)11/h3-6H2,1-2H3,(H2,12,13)
InChIKeyVWRHABFUBIXAHF-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.60
Rot. Bonds4

About 1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine

1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62362805) has the molecular formula C8H16F3N3 and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62362805
Molecular FormulaC8H16F3N3
Molecular Weight211.23 g/mol
Exact Mass211.13
IUPAC Name1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCC/N=C(\N)N(CC)CC(F)(F)F
InChIInChI=1S/C8H16F3N3/c1-3-5-13-7(12)14(4-2)6-8(9,10)11/h3-6H2,1-2H3,(H2,12,13)
InChIKeyVWRHABFUBIXAHF-UHFFFAOYSA-N
XLogP1.60
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

[[Bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
CID 59294947
[[Bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
CID 87548544
1,2-Diethyl-1-(2-fluoropropyl)guanidine
CID 90972045
3-(Diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine
CID 18769853
3-(Diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 53639278
1,2-Dimethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358406
2-Methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358422
2-Methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358423
1-Ethyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358599
2-(2-Methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361475
1,2-Diethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362585
1-Ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362806

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62362805) is 1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine is CCC/N=C(\N)N(CC)CC(F)(F)F.
What is the InChIKey of 1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is VWRHABFUBIXAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3/c1-3-5-13-7(12)14(4-2)6-8(9,10)11/h3-6H2,1-2H3,(H2,12,13).
What are the key properties of 1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 211.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62362805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).