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

C9H6Cl2F3N — CID 11807271

IUPAC4-chloro-N-(2,2,2-trifluoroethyl)benzenecarboximidoyl chloride
SMILESFC(F)(F)C/N=C(\Cl)c1ccc(Cl)cc1
InChIInChI=1S/C9H6Cl2F3N/c10-7-3-1-6(2-4-7)8(11)15-5-9(12,13)14/h1-4H,5H2/b15-8-
InChIKeyZJHQQCDVIVSDMQ-NVNXTCNLSA-N
MW256.05 g/mol
LogP3.89
Rot. Bonds2

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

4-chloro-N-(2,2,2-trifluoroethyl)benzenecarboximidoyl chloride (PubChem CID 11807271) has the molecular formula C9H6Cl2F3N and a molecular weight of 256.05 g/mol. Its IUPAC name is 4-chloro-N-(2,2,2-trifluoroethyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name4-chloro-N-(2,2,2-trifluoroethyl)benzenecarboximidoyl chloride
PubChem CID11807271
Molecular FormulaC9H6Cl2F3N
Molecular Weight256.05 g/mol
Exact Mass254.98
IUPAC Name4-chloro-N-(2,2,2-trifluoroethyl)benzenecarboximidoyl chloride
SMILESFC(F)(F)C/N=C(\Cl)c1ccc(Cl)cc1
InChIInChI=1S/C9H6Cl2F3N/c10-7-3-1-6(2-4-7)8(11)15-5-9(12,13)14/h1-4H,5H2/b15-8-
InChIKeyZJHQQCDVIVSDMQ-NVNXTCNLSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.05
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Bis(4-chlorobenzylidene)ethylenediamine
CID 143703
[(4-Chlorophenyl)methylidene](methyl)amine
CID 11062589
Ethanone, 1-(4-chlorophenyl)-2,2,2-trifluoro-, oxime
CID 103437
1-(4-chlorophenyl)-N-methylmethanimine oxide
CID 6369182
5-(4-Chlorophenyl)-3,4-dihydro-2H-pyrrole
CID 11019446
p-Chlorobenzylidene-butyl-amine
CID 300876
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine
CID 9576213
3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine
CID 122231187
(NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride
CID 134869379
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2,2-trifluoroethyl)benzenecarboximidoyl chloride?
The IUPAC name of 4-chloro-N-(2,2,2-trifluoroethyl)benzenecarboximidoyl chloride (CID 11807271) is 4-chloro-N-(2,2,2-trifluoroethyl)benzenecarboximidoyl chloride.
What is the SMILES notation for 4-chloro-N-(2,2,2-trifluoroethyl)benzenecarboximidoyl chloride?
The canonical SMILES for 4-chloro-N-(2,2,2-trifluoroethyl)benzenecarboximidoyl chloride is FC(F)(F)C/N=C(\Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,2,2-trifluoroethyl)benzenecarboximidoyl chloride?
The InChIKey is ZJHQQCDVIVSDMQ-NVNXTCNLSA-N. The full InChI is InChI=1S/C9H6Cl2F3N/c10-7-3-1-6(2-4-7)8(11)15-5-9(12,13)14/h1-4H,5H2/b15-8-.
What are the key properties of 4-chloro-N-(2,2,2-trifluoroethyl)benzenecarboximidoyl chloride?
4-chloro-N-(2,2,2-trifluoroethyl)benzenecarboximidoyl chloride has a molecular weight of 256.05 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2,2-trifluoroethyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 11807271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).