2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide

C9H6Cl3F3N2 — CID 169366495

IUPAC2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C9H6Cl3F3N2/c10-3-6(16)17-5-2-1-4(11)7(8(5)12)9(13,14)15/h1-2H,3H2,(H2,16,17)
InChIKeyQIHQCQBFAPXIKF-UHFFFAOYSA-N
MW305.51 g/mol
LogP4.24
Rot. Bonds2

About 2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide

2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide (PubChem CID 169366495) has the molecular formula C9H6Cl3F3N2 and a molecular weight of 305.51 g/mol. Its IUPAC name is 2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide
PubChem CID169366495
Molecular FormulaC9H6Cl3F3N2
Molecular Weight305.51 g/mol
Exact Mass303.95
IUPAC Name2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C9H6Cl3F3N2/c10-3-6(16)17-5-2-1-4(11)7(8(5)12)9(13,14)15/h1-2H,3H2,(H2,16,17)
InChIKeyQIHQCQBFAPXIKF-UHFFFAOYSA-N
XLogP4.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide
CID 169365543
2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169365215
2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide
CID 169365282
2-chloro-N'-(2,3,4-trifluorophenyl)ethanimidamide
CID 169364913
2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169366173
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780
2-chloro-N'-(5-chloro-2,4-difluorophenyl)ethanimidamide
CID 169365117
2-chloro-N'-[2-(sulfanylmethyl)-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169368162
2-chloro-N'-[2-(trifluoromethoxy)phenyl]ethanimidamide
CID 169369851
2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide
CID 169369825
N'-[4-bromo-2-(trifluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169369701
2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169369585

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide (CID 169366495) is 2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide is N/C(CCl)=N/c1ccc(Cl)c(C(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide?
The InChIKey is QIHQCQBFAPXIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl3F3N2/c10-3-6(16)17-5-2-1-4(11)7(8(5)12)9(13,14)15/h1-2H,3H2,(H2,16,17).
What are the key properties of 2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide?
2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide has a molecular weight of 305.51 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide is sourced from PubChem (CID 169366495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).