2-(2,3,4-trifluorophenyl)guanidine

C7H6F3N3 — CID 62379829

IUPAC2-(2,3,4-trifluorophenyl)guanidine
SMILESNC(N)=Nc1ccc(F)c(F)c1F
InChIInChI=1S/C7H6F3N3/c8-3-1-2-4(13-7(11)12)6(10)5(3)9/h1-2H,(H4,11,12,13)
InChIKeyBKINSITVUMPGMC-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.01
Rot. Bonds1

About 2-(2,3,4-trifluorophenyl)guanidine

2-(2,3,4-trifluorophenyl)guanidine (PubChem CID 62379829) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 2-(2,3,4-trifluorophenyl)guanidine.

Molecular Properties

Compound Name2-(2,3,4-trifluorophenyl)guanidine
PubChem CID62379829
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name2-(2,3,4-trifluorophenyl)guanidine
SMILESNC(N)=Nc1ccc(F)c(F)c1F
InChIInChI=1S/C7H6F3N3/c8-3-1-2-4(13-7(11)12)6(10)5(3)9/h1-2H,(H4,11,12,13)
InChIKeyBKINSITVUMPGMC-UHFFFAOYSA-N
XLogP1.01
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-(2,3,4-trifluorophenyl)guanidine?
The IUPAC name of 2-(2,3,4-trifluorophenyl)guanidine (CID 62379829) is 2-(2,3,4-trifluorophenyl)guanidine.
What is the SMILES notation for 2-(2,3,4-trifluorophenyl)guanidine?
The canonical SMILES for 2-(2,3,4-trifluorophenyl)guanidine is NC(N)=Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4-trifluorophenyl)guanidine?
The InChIKey is BKINSITVUMPGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3/c8-3-1-2-4(13-7(11)12)6(10)5(3)9/h1-2H,(H4,11,12,13).
What are the key properties of 2-(2,3,4-trifluorophenyl)guanidine?
2-(2,3,4-trifluorophenyl)guanidine has a molecular weight of 189.14 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trifluorophenyl)guanidine is sourced from PubChem (CID 62379829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).