1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine

C5H10F3N3 — CID 62358406

IUPAC1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESC/N=C(\N)N(C)CC(F)(F)F
InChIInChI=1S/C5H10F3N3/c1-10-4(9)11(2)3-5(6,7)8/h3H2,1-2H3,(H2,9,10)
InChIKeyQPAVFQVNQONVHX-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.43
Rot. Bonds1

About 1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine

1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62358406) has the molecular formula C5H10F3N3 and a molecular weight of 169.15 g/mol. Its IUPAC name is 1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62358406
Molecular FormulaC5H10F3N3
Molecular Weight169.15 g/mol
Exact Mass169.08
IUPAC Name1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESC/N=C(\N)N(C)CC(F)(F)F
InChIInChI=1S/C5H10F3N3/c1-10-4(9)11(2)3-5(6,7)8/h3H2,1-2H3,(H2,9,10)
InChIKeyQPAVFQVNQONVHX-UHFFFAOYSA-N
XLogP0.43
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.43
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 1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62358406) is 1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine is C/N=C(\N)N(C)CC(F)(F)F.
What is the InChIKey of 1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is QPAVFQVNQONVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N3/c1-10-4(9)11(2)3-5(6,7)8/h3H2,1-2H3,(H2,9,10).
What are the key properties of 1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine?
1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 169.15 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62358406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).