1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine

C10H11ClF3N3 — CID 63667290

IUPAC1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine
SMILESCC/N=C(\N)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3N3/c1-2-16-9(15)17-8-4-3-6(5-7(8)11)10(12,13)14/h3-5H,2H2,1H3,(H3,15,16,17)
InChIKeySJRFDKPHCKQNEX-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.11
Rot. Bonds2

About 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine

1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine (PubChem CID 63667290) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine
PubChem CID63667290
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine
SMILESCC/N=C(\N)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3N3/c1-2-16-9(15)17-8-4-3-6(5-7(8)11)10(12,13)14/h3-5H,2H2,1H3,(H3,15,16,17)
InChIKeySJRFDKPHCKQNEX-UHFFFAOYSA-N
XLogP3.11
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.11
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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Related Compounds

1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 62379619
1-amino-3-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 116515184
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
CID 107531361
2-carbamothioyl-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide
CID 63669300
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278
N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide
CID 62838644
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
1-(2,4-dichlorophenyl)-2-propylguanidine
CID 62380712
3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol
CID 114493143
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 43707417

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine (CID 63667290) is 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine is CC/N=C(\N)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine?
The InChIKey is SJRFDKPHCKQNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c1-2-16-9(15)17-8-4-3-6(5-7(8)11)10(12,13)14/h3-5H,2H2,1H3,(H3,15,16,17).
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine?
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine has a molecular weight of 265.67 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine is sourced from PubChem (CID 63667290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).