2-[3-(trifluoromethyl)phenyl]guanidine

C8H8F3N3 — CID 5173985

IUPAC2-[3-(trifluoromethyl)phenyl]guanidine
SMILESNC(N)=Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3N3/c9-8(10,11)5-2-1-3-6(4-5)14-7(12)13/h1-4H,(H4,12,13,14)
InChIKeyUNZKIANEZWFDER-UHFFFAOYSA-N
MW203.17 g/mol
LogP1.61
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]guanidine

2-[3-(trifluoromethyl)phenyl]guanidine (PubChem CID 5173985) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]guanidine
PubChem CID5173985
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name2-[3-(trifluoromethyl)phenyl]guanidine
SMILESNC(N)=Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3N3/c9-8(10,11)5-2-1-3-6(4-5)14-7(12)13/h1-4H,(H4,12,13,14)
InChIKeyUNZKIANEZWFDER-UHFFFAOYSA-N
XLogP1.61
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.61
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 2-[3-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]guanidine (CID 5173985) is 2-[3-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]guanidine is NC(N)=Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]guanidine?
The InChIKey is UNZKIANEZWFDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3/c9-8(10,11)5-2-1-3-6(4-5)14-7(12)13/h1-4H,(H4,12,13,14).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]guanidine?
2-[3-(trifluoromethyl)phenyl]guanidine has a molecular weight of 203.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 5173985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).