2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride

C9H6ClF4N — CID 135053710

IUPAC2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride
SMILESCc1cc(F)ccc1/N=C(\Cl)C(F)(F)F
InChIInChI=1S/C9H6ClF4N/c1-5-4-6(11)2-3-7(5)15-8(10)9(12,13)14/h2-4H,1H3/b15-8-
InChIKeyFRHBBWMSFHZRFQ-NVNXTCNLSA-N
MW239.60 g/mol
LogP3.97
Rot. Bonds1

About 2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride

2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride (PubChem CID 135053710) has the molecular formula C9H6ClF4N and a molecular weight of 239.60 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride
PubChem CID135053710
Molecular FormulaC9H6ClF4N
Molecular Weight239.60 g/mol
Exact Mass239.01
IUPAC Name2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride
SMILESCc1cc(F)ccc1/N=C(\Cl)C(F)(F)F
InChIInChI=1S/C9H6ClF4N/c1-5-4-6(11)2-3-7(5)15-8(10)9(12,13)14/h2-4H,1H3/b15-8-
InChIKeyFRHBBWMSFHZRFQ-NVNXTCNLSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.60
LogP ≤ 53.97
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 2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride?
The IUPAC name of 2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride (CID 135053710) is 2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride?
The canonical SMILES for 2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride is Cc1cc(F)ccc1/N=C(\Cl)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride?
The InChIKey is FRHBBWMSFHZRFQ-NVNXTCNLSA-N. The full InChI is InChI=1S/C9H6ClF4N/c1-5-4-6(11)2-3-7(5)15-8(10)9(12,13)14/h2-4H,1H3/b15-8-.
What are the key properties of 2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride?
2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride has a molecular weight of 239.60 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-fluoro-2-methylphenyl)ethanimidoyl chloride is sourced from PubChem (CID 135053710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).