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

C4H8F3N3 — CID 60890998

IUPAC1-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILES[H]/N=C(\N)N(C)CC(F)(F)F
InChIInChI=1S/C4H8F3N3/c1-10(3(8)9)2-4(5,6)7/h2H2,1H3,(H3,8,9)
InChIKeyCUMYEXQMPSAKIL-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.37
Rot. Bonds1

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

1-methyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 60890998) has the molecular formula C4H8F3N3 and a molecular weight of 155.12 g/mol. Its IUPAC name is 1-methyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-methyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID60890998
Molecular FormulaC4H8F3N3
Molecular Weight155.12 g/mol
Exact Mass155.07
IUPAC Name1-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILES[H]/N=C(\N)N(C)CC(F)(F)F
InChIInChI=1S/C4H8F3N3/c1-10(3(8)9)2-4(5,6)7/h2H2,1H3,(H3,8,9)
InChIKeyCUMYEXQMPSAKIL-UHFFFAOYSA-N
XLogP0.37
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.37
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-methyl-1-(2,2,2-trifluoroethyl)guanidine (CID 60890998) is 1-methyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-methyl-1-(2,2,2-trifluoroethyl)guanidine is [H]/N=C(\N)N(C)CC(F)(F)F.
What is the InChIKey of 1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is CUMYEXQMPSAKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3N3/c1-10(3(8)9)2-4(5,6)7/h2H2,1H3,(H3,8,9).
What are the key properties of 1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
1-methyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 155.12 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 60890998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).