1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine

C10H11ClF3N3 — CID 62379619

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine
SMILESCC/N=C(\N)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H11ClF3N3/c1-2-16-9(15)17-8-5-6(10(12,13)14)3-4-7(8)11/h3-5H,2H2,1H3,(H3,15,16,17)
InChIKeyCVBYPHCAIANVOC-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.11
Rot. Bonds2

About 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine

1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine (PubChem CID 62379619) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine
PubChem CID62379619
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine
SMILESCC/N=C(\N)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H11ClF3N3/c1-2-16-9(15)17-8-5-6(10(12,13)14)3-4-7(8)11/h3-5H,2H2,1H3,(H3,15,16,17)
InChIKeyCVBYPHCAIANVOC-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-4-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 63667290
1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
CID 107531361
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine;hydrochloride
CID 171152064
1-amino-3-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 116515184
1-(1-aminoheptylidene)-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea
CID 54540300
2-(aminomethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 65225734
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine
CID 135541631
3-[2-chloro-5-(trifluoromethyl)phenyl]-1,1-dipropylurea
CID 108990980
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
CID 107143843
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine chloride
CID 23004625
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine (CID 62379619) is 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine is CC/N=C(\N)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine?
The InChIKey is CVBYPHCAIANVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c1-2-16-9(15)17-8-5-6(10(12,13)14)3-4-7(8)11/h3-5H,2H2,1H3,(H3,15,16,17).
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine?
1-[2-chloro-5-(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-5-(trifluoromethyl)phenyl]-2-ethylguanidine is sourced from PubChem (CID 62379619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).