1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine

C11H12F3NO — CID 21020679

IUPAC1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine
SMILESCCOc1ccc(/C(=N\C)C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO/c1-3-16-9-6-4-8(5-7-9)10(15-2)11(12,13)14/h4-7H,3H2,1-2H3/b15-10+
InChIKeyMLWIEQPAGOLWHC-XNTDXEJSSA-N
MW231.22 g/mol
LogP3.07
Rot. Bonds3

About 1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine

1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine (PubChem CID 21020679) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine
PubChem CID21020679
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine
SMILESCCOc1ccc(/C(=N\C)C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO/c1-3-16-9-6-4-8(5-7-9)10(15-2)11(12,13)14/h4-7H,3H2,1-2H3/b15-10+
InChIKeyMLWIEQPAGOLWHC-XNTDXEJSSA-N
XLogP3.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.07
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

N-[2,2,2-trifluoro-1-[4-[3-[4-[N-hydroxy-C-(trifluoromethyl)carbonimidoyl]phenoxy]propoxy]phenyl]ethylidene]hydroxylamine
CID 74062449
2,2,3,3,4,4,4-heptafluoro-1-[4-[3-[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]propoxy]phenyl]-N-methylbutan-1-imine
CID 59319771
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine
CID 74009025
(Z)-4-(4-ethoxyphenyl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
CID 40572669
(Z)-2,2,2-trifluoro-N-methylsulfanyloxy-1-[4-[3-[4-[(Z)-N-methylsulfanyloxy-C-(trifluoromethyl)carbonimidoyl]phenoxy]propoxy]phenyl]ethanimine
CID 58241618
(NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine
CID 7460924
1-(4-ethoxyphenyl)ethylidenehydrazine
CID 937394
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
1,3,5-tris[2-[4-[N-hydroxy-C-(trifluoromethyl)carbonimidoyl]phenoxy]ethyl]-1,3,5-triazinane-2,4,6-trione
CID 58582703
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
[(Z)-[2,2,2-trifluoro-1-(4-propoxyphenyl)ethylidene]amino] propane-1-sulfonate
CID 58836333

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine?
The IUPAC name of 1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine (CID 21020679) is 1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine is CCOc1ccc(/C(=N\C)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine?
The InChIKey is MLWIEQPAGOLWHC-XNTDXEJSSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-3-16-9-6-4-8(5-7-9)10(15-2)11(12,13)14/h4-7H,3H2,1-2H3/b15-10+.
What are the key properties of 1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine?
1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine has a molecular weight of 231.22 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine is sourced from PubChem (CID 21020679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).