(1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride

C9H5Cl3F3N — CID 11208537

IUPAC(1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride
SMILESFC(F)(F)C(Cl)/N=C(\Cl)c1ccc(Cl)cc1
InChIInChI=1S/C9H5Cl3F3N/c10-6-3-1-5(2-4-6)7(11)16-8(12)9(13,14)15/h1-4,8H/b16-7-
InChIKeyIUUMAHGAQHEILA-APSNUPSMSA-N
MW290.50 g/mol
LogP4.45
Rot. Bonds2

About (1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride

(1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride (PubChem CID 11208537) has the molecular formula C9H5Cl3F3N and a molecular weight of 290.50 g/mol. Its IUPAC name is (1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride
PubChem CID11208537
Molecular FormulaC9H5Cl3F3N
Molecular Weight290.50 g/mol
Exact Mass288.94
IUPAC Name(1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride
SMILESFC(F)(F)C(Cl)/N=C(\Cl)c1ccc(Cl)cc1
InChIInChI=1S/C9H5Cl3F3N/c10-6-3-1-5(2-4-6)7(11)16-8(12)9(13,14)15/h1-4,8H/b16-7-
InChIKeyIUUMAHGAQHEILA-APSNUPSMSA-N
XLogP4.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.45
H-Bond Donors ≤ 50
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': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[(4-Chlorophenyl)methylidene](methyl)amine
CID 11062589
p-Chlorobenzylidene-butyl-amine
CID 300876
N-(1-Chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine
CID 71319733
3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine
CID 122231187
1-(4-chlorophenyl)-N-[(1Z)-1-[6-methylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethyl]methanimine
CID 135068154
N,N'-Bis(4-chloro-3-fluorobenzylidene)ethane-1,2-diamine
CID 139075489
(E)-N-(trifluoromethyl)benzenecarboximidoyl chloride
CID 176438425
Benzene, 1-chloro-4-[[(2-chloroethyl)imino]methyl]-
CID 308173
2-Propen-1-amine, N-[(4-chlorophenyl)methylene]-
CID 10921107
N-tert-butyl-1-(4-chlorophenyl)methanimine
CID 11424127
1-(4-chlorophenyl)-N-ethylmethanimine
CID 12927004
(E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine
CID 10331112

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride?
The IUPAC name of (1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride (CID 11208537) is (1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride is FC(F)(F)C(Cl)/N=C(\Cl)c1ccc(Cl)cc1.
What is the InChIKey of (1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride?
The InChIKey is IUUMAHGAQHEILA-APSNUPSMSA-N. The full InChI is InChI=1S/C9H5Cl3F3N/c10-6-3-1-5(2-4-6)7(11)16-8(12)9(13,14)15/h1-4,8H/b16-7-.
What are the key properties of (1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride?
(1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride has a molecular weight of 290.50 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 11208537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).