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

C8H16F3N3 — CID 62364342

IUPAC2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCCN(CC(F)(F)F)/C(N)=N/CC
InChIInChI=1S/C8H16F3N3/c1-3-5-14(6-8(9,10)11)7(12)13-4-2/h3-6H2,1-2H3,(H2,12,13)
InChIKeyFEZGRTWKNQEOTL-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.60
Rot. Bonds4

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

2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62364342) has the molecular formula C8H16F3N3 and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62364342
Molecular FormulaC8H16F3N3
Molecular Weight211.23 g/mol
Exact Mass211.13
IUPAC Name2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCCN(CC(F)(F)F)/C(N)=N/CC
InChIInChI=1S/C8H16F3N3/c1-3-5-14(6-8(9,10)11)7(12)13-4-2/h3-6H2,1-2H3,(H2,12,13)
InChIKeyFEZGRTWKNQEOTL-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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62364342) is 2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine is CCCN(CC(F)(F)F)/C(N)=N/CC.
What is the InChIKey of 2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is FEZGRTWKNQEOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3/c1-3-5-14(6-8(9,10)11)7(12)13-4-2/h3-6H2,1-2H3,(H2,12,13).
What are the key properties of 2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
2-ethyl-1-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 2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62364342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).