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

C9H7ClF3N — CID 11775698

IUPAC2,2,2-trifluoro-N-(4-methylphenyl)ethanimidoyl chloride
SMILESCc1ccc(/N=C(\Cl)C(F)(F)F)cc1
InChIInChI=1S/C9H7ClF3N/c1-6-2-4-7(5-3-6)14-8(10)9(11,12)13/h2-5H,1H3/b14-8-
InChIKeyQXTZFTFJNQVVKJ-ZSOIEALJSA-N
MW221.61 g/mol
LogP3.83
Rot. Bonds1

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

2,2,2-trifluoro-N-(4-methylphenyl)ethanimidoyl chloride (PubChem CID 11775698) has the molecular formula C9H7ClF3N and a molecular weight of 221.61 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methylphenyl)ethanimidoyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methylphenyl)ethanimidoyl chloride
PubChem CID11775698
Molecular FormulaC9H7ClF3N
Molecular Weight221.61 g/mol
Exact Mass221.02
IUPAC Name2,2,2-trifluoro-N-(4-methylphenyl)ethanimidoyl chloride
SMILESCc1ccc(/N=C(\Cl)C(F)(F)F)cc1
InChIInChI=1S/C9H7ClF3N/c1-6-2-4-7(5-3-6)14-8(10)9(11,12)13/h2-5H,1H3/b14-8-
InChIKeyQXTZFTFJNQVVKJ-ZSOIEALJSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.61
LogP ≤ 53.83
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

4-(Trifluoromethyl)aniline
CID 9964
4-Methylphenyl isocyanate
CID 69325
3-(Trifluoromethyl)phenyl isocyanate
CID 9483
p-Tolyl isothiocyanate
CID 12149
2-(Trifluoromethyl)phenyl isocyanate
CID 16794
1-Isothiocyanato-3-(trifluoromethyl)benzene
CID 137232
N-[4-(trifluoromethyl)phenyl]guanidine
CID 19841587
4-(Trifluoromethyl)phenyl isocyanate
CID 73768
4-chloro-N-(4-methylphenyl)dithiazol-5-imine
CID 715719
Benzenamine, 4-(nonafluorobutyl)-
CID 10979839
1-Isocyano-4-methylbenzene
CID 23562
p-Vinylphenyl isothiocyanate
CID 137053

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methylphenyl)ethanimidoyl chloride?
The IUPAC name of 2,2,2-trifluoro-N-(4-methylphenyl)ethanimidoyl chloride (CID 11775698) is 2,2,2-trifluoro-N-(4-methylphenyl)ethanimidoyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methylphenyl)ethanimidoyl chloride?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methylphenyl)ethanimidoyl chloride is Cc1ccc(/N=C(\Cl)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methylphenyl)ethanimidoyl chloride?
The InChIKey is QXTZFTFJNQVVKJ-ZSOIEALJSA-N. The full InChI is InChI=1S/C9H7ClF3N/c1-6-2-4-7(5-3-6)14-8(10)9(11,12)13/h2-5H,1H3/b14-8-.
What are the key properties of 2,2,2-trifluoro-N-(4-methylphenyl)ethanimidoyl chloride?
2,2,2-trifluoro-N-(4-methylphenyl)ethanimidoyl chloride has a molecular weight of 221.61 g/mol, XLogP of 3.83, 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-methylphenyl)ethanimidoyl chloride is sourced from PubChem (CID 11775698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).