2-propyl-1-(trifluoromethyl)guanidine

C5H10F3N3 — CID 25032611

IUPAC2-propyl-1-(trifluoromethyl)guanidine
SMILESCCC/N=C(\N)NC(F)(F)F
InChIInChI=1S/C5H10F3N3/c1-2-3-10-4(9)11-5(6,7)8/h2-3H2,1H3,(H3,9,10,11)
InChIKeyKLEMRDDPRXPQDJ-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.82
Rot. Bonds2

About 2-propyl-1-(trifluoromethyl)guanidine

2-propyl-1-(trifluoromethyl)guanidine (PubChem CID 25032611) has the molecular formula C5H10F3N3 and a molecular weight of 169.15 g/mol. Its IUPAC name is 2-propyl-1-(trifluoromethyl)guanidine.

Molecular Properties

Compound Name2-propyl-1-(trifluoromethyl)guanidine
PubChem CID25032611
Molecular FormulaC5H10F3N3
Molecular Weight169.15 g/mol
Exact Mass169.08
IUPAC Name2-propyl-1-(trifluoromethyl)guanidine
SMILESCCC/N=C(\N)NC(F)(F)F
InChIInChI=1S/C5H10F3N3/c1-2-3-10-4(9)11-5(6,7)8/h2-3H2,1H3,(H3,9,10,11)
InChIKeyKLEMRDDPRXPQDJ-UHFFFAOYSA-N
XLogP0.82
TPSA50.41 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 ≤ 50.82
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 2-propyl-1-(trifluoromethyl)guanidine?
The IUPAC name of 2-propyl-1-(trifluoromethyl)guanidine (CID 25032611) is 2-propyl-1-(trifluoromethyl)guanidine.
What is the SMILES notation for 2-propyl-1-(trifluoromethyl)guanidine?
The canonical SMILES for 2-propyl-1-(trifluoromethyl)guanidine is CCC/N=C(\N)NC(F)(F)F.
What is the InChIKey of 2-propyl-1-(trifluoromethyl)guanidine?
The InChIKey is KLEMRDDPRXPQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N3/c1-2-3-10-4(9)11-5(6,7)8/h2-3H2,1H3,(H3,9,10,11).
What are the key properties of 2-propyl-1-(trifluoromethyl)guanidine?
2-propyl-1-(trifluoromethyl)guanidine has a molecular weight of 169.15 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(trifluoromethyl)guanidine is sourced from PubChem (CID 25032611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).