N-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride

C9H5Cl3F3N — CID 19754605

IUPACN-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride
SMILESC/C(Cl)=N\c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H5Cl3F3N/c1-4(10)16-8-6(11)2-5(3-7(8)12)9(13,14)15/h2-3H,1H3/b16-4+
InChIKeyXYJCBPHPGMYGNF-AYSLTRBKSA-N
MW290.50 g/mol
LogP5.30
Rot. Bonds1

About N-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride

N-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride (PubChem CID 19754605) has the molecular formula C9H5Cl3F3N and a molecular weight of 290.50 g/mol. Its IUPAC name is N-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride.

Molecular Properties

Compound NameN-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride
PubChem CID19754605
Molecular FormulaC9H5Cl3F3N
Molecular Weight290.50 g/mol
Exact Mass288.94
IUPAC NameN-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride
SMILESC/C(Cl)=N\c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H5Cl3F3N/c1-4(10)16-8-6(11)2-5(3-7(8)12)9(13,14)15/h2-3H,1H3/b16-4+
InChIKeyXYJCBPHPGMYGNF-AYSLTRBKSA-N
XLogP5.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride?
The IUPAC name of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride (CID 19754605) is N-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride.
What is the SMILES notation for N-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride?
The canonical SMILES for N-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride is C/C(Cl)=N\c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride?
The InChIKey is XYJCBPHPGMYGNF-AYSLTRBKSA-N. The full InChI is InChI=1S/C9H5Cl3F3N/c1-4(10)16-8-6(11)2-5(3-7(8)12)9(13,14)15/h2-3H,1H3/b16-4+.
What are the key properties of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride?
N-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride has a molecular weight of 290.50 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride is sourced from PubChem (CID 19754605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).