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

C10H9ClF3NO — CID 14972216

IUPAC2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride
SMILESCOc1ccc(/N=C(\Cl)C(F)(F)F)c(C)c1
InChIInChI=1S/C10H9ClF3NO/c1-6-5-7(16-2)3-4-8(6)15-9(11)10(12,13)14/h3-5H,1-2H3/b15-9-
InChIKeyQUORHBGHQVSNMA-DHDCSXOGSA-N
MW251.64 g/mol
LogP3.83
Rot. Bonds2

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

2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride (PubChem CID 14972216) has the molecular formula C10H9ClF3NO and a molecular weight of 251.64 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride
PubChem CID14972216
Molecular FormulaC10H9ClF3NO
Molecular Weight251.64 g/mol
Exact Mass251.03
IUPAC Name2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride
SMILESCOc1ccc(/N=C(\Cl)C(F)(F)F)c(C)c1
InChIInChI=1S/C10H9ClF3NO/c1-6-5-7(16-2)3-4-8(6)15-9(11)10(12,13)14/h3-5H,1-2H3/b15-9-
InChIKeyQUORHBGHQVSNMA-DHDCSXOGSA-N
XLogP3.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride
CID 139228942
2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine
CID 89470377
2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride
CID 86064407
N'-(4-methoxy-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 25767
[N'-(4-methoxy-2-methylphenyl)carbamimidoyl]sulfanylmethyl 2-methylpropanoate
CID 71209268
azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate)
CID 11146932
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 61101293
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
1-fluoro-4-methoxy-2-methylbenzene;methanamine
CID 142516240
2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride
CID 23131652

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride?
The IUPAC name of 2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride (CID 14972216) is 2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride is COc1ccc(/N=C(\Cl)C(F)(F)F)c(C)c1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride?
The InChIKey is QUORHBGHQVSNMA-DHDCSXOGSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c1-6-5-7(16-2)3-4-8(6)15-9(11)10(12,13)14/h3-5H,1-2H3/b15-9-.
What are the key properties of 2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride?
2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride has a molecular weight of 251.64 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride is sourced from PubChem (CID 14972216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).