ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate

C18H24F3NO2 — CID 126723001

IUPACethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate
SMILESCCO/C(C)=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H24F3NO2/c1-3-23-13(2)22-24-12-14-9-10-16(15-7-5-4-6-8-15)17(11-14)18(19,20)21/h9-11,15H,3-8,12H2,1-2H3/b22-13-
InChIKeyWOUZBNWNCNNUOH-XKZIYDEJSA-N
MW343.39 g/mol
LogP5.64
Rot. Bonds5

About ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate

ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate (PubChem CID 126723001) has the molecular formula C18H24F3NO2 and a molecular weight of 343.39 g/mol. Its IUPAC name is ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate.

Molecular Properties

Compound Nameethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate
PubChem CID126723001
Molecular FormulaC18H24F3NO2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Nameethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate
SMILESCCO/C(C)=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H24F3NO2/c1-3-23-13(2)22-24-12-14-9-10-16(15-7-5-4-6-8-15)17(11-14)18(19,20)21/h9-11,15H,3-8,12H2,1-2H3/b22-13-
InChIKeyWOUZBNWNCNNUOH-XKZIYDEJSA-N
XLogP5.64
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.39
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ethanone, 1-[3-ethyl-4-(hydroxymethyl)phenyl]-,O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]oxime, (1E)-
CID 123382840
Siponimod Impurity 27
CID 126723004
(E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 13282529
2-[Difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene
CID 20759503
1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 53949921
(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine
CID 59021079
(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 59021166
1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 59909214
(Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 59934418
(Z)-1-(3,4-dimethylphenyl)-N-[(3-fluorophenyl)methoxy]ethanimine
CID 59934420
O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 67191531
1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene
CID 71024812

Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate?
The IUPAC name of ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate (CID 126723001) is ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate.
What is the SMILES notation for ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate?
The canonical SMILES for ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate is CCO/C(C)=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate?
The InChIKey is WOUZBNWNCNNUOH-XKZIYDEJSA-N. The full InChI is InChI=1S/C18H24F3NO2/c1-3-23-13(2)22-24-12-14-9-10-16(15-7-5-4-6-8-15)17(11-14)18(19,20)21/h9-11,15H,3-8,12H2,1-2H3/b22-13-.
What are the key properties of ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate?
ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate has a molecular weight of 343.39 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate is sourced from PubChem (CID 126723001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).