1-propyl-1-(trifluoromethyl)guanidine

C5H10F3N3 — CID 154316155

IUPAC1-propyl-1-(trifluoromethyl)guanidine
SMILES[H]/N=C(\N)N(CCC)C(F)(F)F
InChIInChI=1S/C5H10F3N3/c1-2-3-11(4(9)10)5(6,7)8/h2-3H2,1H3,(H3,9,10)
InChIKeySOYCJLUUKHBTFC-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.11
Rot. Bonds2

About 1-propyl-1-(trifluoromethyl)guanidine

1-propyl-1-(trifluoromethyl)guanidine (PubChem CID 154316155) has the molecular formula C5H10F3N3 and a molecular weight of 169.15 g/mol. Its IUPAC name is 1-propyl-1-(trifluoromethyl)guanidine.

Molecular Properties

Compound Name1-propyl-1-(trifluoromethyl)guanidine
PubChem CID154316155
Molecular FormulaC5H10F3N3
Molecular Weight169.15 g/mol
Exact Mass169.08
IUPAC Name1-propyl-1-(trifluoromethyl)guanidine
SMILES[H]/N=C(\N)N(CCC)C(F)(F)F
InChIInChI=1S/C5H10F3N3/c1-2-3-11(4(9)10)5(6,7)8/h2-3H2,1H3,(H3,9,10)
InChIKeySOYCJLUUKHBTFC-UHFFFAOYSA-N
XLogP1.11
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.11
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': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-1-(trifluoromethyl)guanidine?
The IUPAC name of 1-propyl-1-(trifluoromethyl)guanidine (CID 154316155) is 1-propyl-1-(trifluoromethyl)guanidine.
What is the SMILES notation for 1-propyl-1-(trifluoromethyl)guanidine?
The canonical SMILES for 1-propyl-1-(trifluoromethyl)guanidine is [H]/N=C(\N)N(CCC)C(F)(F)F.
What is the InChIKey of 1-propyl-1-(trifluoromethyl)guanidine?
The InChIKey is SOYCJLUUKHBTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N3/c1-2-3-11(4(9)10)5(6,7)8/h2-3H2,1H3,(H3,9,10).
What are the key properties of 1-propyl-1-(trifluoromethyl)guanidine?
1-propyl-1-(trifluoromethyl)guanidine has a molecular weight of 169.15 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1-(trifluoromethyl)guanidine is sourced from PubChem (CID 154316155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).