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

C7H7F3N4 — CID 116510438

IUPAC1-amino-2-(2,3,4-trifluorophenyl)guanidine
SMILESNN/C(N)=N/c1ccc(F)c(F)c1F
InChIInChI=1S/C7H7F3N4/c8-3-1-2-4(6(10)5(3)9)13-7(11)14-12/h1-2H,12H2,(H3,11,13,14)
InChIKeyGMFNJRAOBSZYSN-UHFFFAOYSA-N
MW204.16 g/mol
LogP0.51
Rot. Bonds1

About 1-amino-2-(2,3,4-trifluorophenyl)guanidine

1-amino-2-(2,3,4-trifluorophenyl)guanidine (PubChem CID 116510438) has the molecular formula C7H7F3N4 and a molecular weight of 204.16 g/mol. Its IUPAC name is 1-amino-2-(2,3,4-trifluorophenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2,3,4-trifluorophenyl)guanidine
PubChem CID116510438
Molecular FormulaC7H7F3N4
Molecular Weight204.16 g/mol
Exact Mass204.06
IUPAC Name1-amino-2-(2,3,4-trifluorophenyl)guanidine
SMILESNN/C(N)=N/c1ccc(F)c(F)c1F
InChIInChI=1S/C7H7F3N4/c8-3-1-2-4(6(10)5(3)9)13-7(11)14-12/h1-2H,12H2,(H3,11,13,14)
InChIKeyGMFNJRAOBSZYSN-UHFFFAOYSA-N
XLogP0.51
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,3,4-trifluorophenyl)guanidine
CID 62379829
1-(diaminomethylidene)-2-(2,3,4-trifluorophenyl)guanidine
CID 23086866
2-chloro-N'-(2,3,4-trifluorophenyl)ethanimidamide
CID 169364913
N-amino-N'-(2,3-difluorophenyl)propanimidamide
CID 67571427
methyl 3-[(1-amino-2-chloroethylidene)amino]-2,6-difluorobenzoate
CID 169365406
1-cyano-2-(2,5-difluorophenyl)guanidine
CID 18770604
2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine
CID 62379789
1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine
CID 116510996
N'-(2,3-difluorophenyl)benzenecarboximidamide
CID 63176604
1-amino-2-[(5-bromo-2-fluorophenyl)methyl]guanidine
CID 64866451
2-[(N'-methylcarbamimidoyl)amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 110913519
1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine
CID 154084915

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,3,4-trifluorophenyl)guanidine?
The IUPAC name of 1-amino-2-(2,3,4-trifluorophenyl)guanidine (CID 116510438) is 1-amino-2-(2,3,4-trifluorophenyl)guanidine.
What is the SMILES notation for 1-amino-2-(2,3,4-trifluorophenyl)guanidine?
The canonical SMILES for 1-amino-2-(2,3,4-trifluorophenyl)guanidine is NN/C(N)=N/c1ccc(F)c(F)c1F.
What is the InChIKey of 1-amino-2-(2,3,4-trifluorophenyl)guanidine?
The InChIKey is GMFNJRAOBSZYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4/c8-3-1-2-4(6(10)5(3)9)13-7(11)14-12/h1-2H,12H2,(H3,11,13,14).
What are the key properties of 1-amino-2-(2,3,4-trifluorophenyl)guanidine?
1-amino-2-(2,3,4-trifluorophenyl)guanidine has a molecular weight of 204.16 g/mol, XLogP of 0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,3,4-trifluorophenyl)guanidine is sourced from PubChem (CID 116510438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).