(Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine

C14H18F3NO2 — CID 22963052

IUPAC(Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine
SMILESCO/N=C(/c1cccc(OCC(C)(C)C)c1)C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-13(2,3)9-20-11-7-5-6-10(8-11)12(18-19-4)14(15,16)17/h5-8H,9H2,1-4H3/b18-12-
InChIKeyZEAQNFLADBMSEW-PDGQHHTCSA-N
MW289.30 g/mol
LogP4.02
Rot. Bonds4

About (Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine

(Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine (PubChem CID 22963052) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is (Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine.

Molecular Properties

Compound Name(Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine
PubChem CID22963052
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name(Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine
SMILESCO/N=C(/c1cccc(OCC(C)(C)C)c1)C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-13(2,3)9-20-11-7-5-6-10(8-11)12(18-19-4)14(15,16)17/h5-8H,9H2,1-4H3/b18-12-
InChIKeyZEAQNFLADBMSEW-PDGQHHTCSA-N
XLogP4.02
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine
CID 74009025
1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine
CID 72592560
2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine
CID 59115160
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654
(E)-1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexan-2-yloxy]phenyl]-2,2,2-trifluoro-N-methoxyethanimine
CID 91200593
1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentan-2-yloxy]phenyl]-2,2,2-trifluoro-N-methoxyethanimine
CID 159806082
(Z)-N-methoxy-1-(3-methoxyphenyl)propan-1-imine
CID 20642400
3,4-dimethoxy-N-[2-oxo-2-[2-[2,2,2-trifluoro-1-(3-methoxyphenyl)ethylidene]hydrazinyl]ethyl]benzamide
CID 123434441
3-(2,2,2-trifluoroethoxy)benzoyl chloride
CID 95928099
2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine
CID 135006703
1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropoxy)benzene
CID 118887194
heptakis(1-[3-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]phenyl]-N-methoxyethanimine);1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenyl]peroxyphenyl]-N-methoxyethanimine;1-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenyl]peroxyphenyl]-2,2,2-trifluoro-N-methoxyethanimine;ethane;ethene
CID 158969329

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine?
The IUPAC name of (Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine (CID 22963052) is (Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine.
What is the SMILES notation for (Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine?
The canonical SMILES for (Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine is CO/N=C(/c1cccc(OCC(C)(C)C)c1)C(F)(F)F.
What is the InChIKey of (Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine?
The InChIKey is ZEAQNFLADBMSEW-PDGQHHTCSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-13(2,3)9-20-11-7-5-6-10(8-11)12(18-19-4)14(15,16)17/h5-8H,9H2,1-4H3/b18-12-.
What are the key properties of (Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine?
(Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine has a molecular weight of 289.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine is sourced from PubChem (CID 22963052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).