2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine

C8H7ClF3N3 — CID 54457272

IUPAC2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine
SMILESNC(N)=Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C8H7ClF3N3/c9-5-3-1-2-4(8(10,11)12)6(5)15-7(13)14/h1-3H,(H4,13,14,15)
InChIKeyWZBZVHPHBOPYSF-UHFFFAOYSA-N
MW237.61 g/mol
LogP2.26
Rot. Bonds1

About 2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine

2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine (PubChem CID 54457272) has the molecular formula C8H7ClF3N3 and a molecular weight of 237.61 g/mol. Its IUPAC name is 2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine
PubChem CID54457272
Molecular FormulaC8H7ClF3N3
Molecular Weight237.61 g/mol
Exact Mass237.03
IUPAC Name2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine
SMILESNC(N)=Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C8H7ClF3N3/c9-5-3-1-2-4(8(10,11)12)6(5)15-7(13)14/h1-3H,(H4,13,14,15)
InChIKeyWZBZVHPHBOPYSF-UHFFFAOYSA-N
XLogP2.26
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 52.26
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'}

Analyze 2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine
CID 116510402
N'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide
CID 63174554
2-(2-chloro-6-iodophenyl)guanidine
CID 54161142
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylguanidine
CID 62379408
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-chloro-5-(trifluoromethyl)naphthalene
CID 20538520
2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline
CID 143122342
2-chloro-6-(trifluoromethyl)benzonitrile
CID 10867457
sodium;1-chloro-2-(trifluoromethyl)benzene;hydride
CID 175454034
2-chloro-N'-[2-(methylsulfanylmethyl)-6-(trifluoromethyl)phenyl]ethanimidamide
CID 169366535
2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
CID 142465588

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine (CID 54457272) is 2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine is NC(N)=Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine?
The InChIKey is WZBZVHPHBOPYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3/c9-5-3-1-2-4(8(10,11)12)6(5)15-7(13)14/h1-3H,(H4,13,14,15).
What are the key properties of 2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine?
2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine has a molecular weight of 237.61 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 54457272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).