2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide

C9H5ClF6N2 — CID 169366173

IUPAC2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1cc(C(F)(F)F)c(F)c(F)c1F
InChIInChI=1S/C9H5ClF6N2/c10-2-5(17)18-4-1-3(9(14,15)16)6(11)8(13)7(4)12/h1H,2H2,(H2,17,18)
InChIKeyYYJZWFSUPXLNQC-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.35
Rot. Bonds2

About 2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide

2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide (PubChem CID 169366173) has the molecular formula C9H5ClF6N2 and a molecular weight of 290.59 g/mol. Its IUPAC name is 2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide
PubChem CID169366173
Molecular FormulaC9H5ClF6N2
Molecular Weight290.59 g/mol
Exact Mass290.00
IUPAC Name2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1cc(C(F)(F)F)c(F)c(F)c1F
InChIInChI=1S/C9H5ClF6N2/c10-2-5(17)18-4-1-3(9(14,15)16)6(11)8(13)7(4)12/h1H,2H2,(H2,17,18)
InChIKeyYYJZWFSUPXLNQC-UHFFFAOYSA-N
XLogP3.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide
CID 169367038
2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169366975
2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169365215
2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide
CID 169369622
N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169369581
2-chloro-N'-(2,3,4-trifluorophenyl)ethanimidamide
CID 169364913
2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide
CID 169365282
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780
2-chloro-N'-[2-(sulfanylmethyl)-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169368162
2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169369585
N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169364970
2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide
CID 169366495

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide (CID 169366173) is 2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide is N/C(CCl)=N/c1cc(C(F)(F)F)c(F)c(F)c1F.
What is the InChIKey of 2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide?
The InChIKey is YYJZWFSUPXLNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF6N2/c10-2-5(17)18-4-1-3(9(14,15)16)6(11)8(13)7(4)12/h1H,2H2,(H2,17,18).
What are the key properties of 2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide?
2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide has a molecular weight of 290.59 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide is sourced from PubChem (CID 169366173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).