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

C12H13ClF3NO2 — CID 146169728

IUPACethyl (1Z)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethanimidate
SMILESCCO/C(C)=N\OCc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H13ClF3NO2/c1-3-18-8(2)17-19-7-9-4-5-11(13)10(6-9)12(14,15)16/h4-6H,3,7H2,1-2H3/b17-8-
InChIKeyKHYLROCBDIQUGK-IUXPMGMMSA-N
MW295.69 g/mol
LogP4.25
Rot. Bonds4

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

ethyl (1Z)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethanimidate (PubChem CID 146169728) has the molecular formula C12H13ClF3NO2 and a molecular weight of 295.69 g/mol. Its IUPAC name is ethyl (1Z)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethanimidate.

Molecular Properties

Compound Nameethyl (1Z)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethanimidate
PubChem CID146169728
Molecular FormulaC12H13ClF3NO2
Molecular Weight295.69 g/mol
Exact Mass295.06
IUPAC Nameethyl (1Z)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethanimidate
SMILESCCO/C(C)=N\OCc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H13ClF3NO2/c1-3-18-8(2)17-19-7-9-4-5-11(13)10(6-9)12(14,15)16/h4-6H,3,7H2,1-2H3/b17-8-
InChIKeyKHYLROCBDIQUGK-IUXPMGMMSA-N
XLogP4.25
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 54.25
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

ethyl (1E)-N-[[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]methoxy]ethanimidate
CID 169061119
ethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate
CID 169061013
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
ethyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4,5,5,5-pentafluoro-3-oxopentanoate
CID 121484902
(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine
CID 88957258
1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene
CID 89363824
ethyl 3-[4-chloro-3-(trifluoromethyl)anilino]-2-methylprop-2-enoate
CID 801654
(3R)-3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-ethoxypropanoic acid
CID 124564510
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine
CID 88957471
2-[4-chloro-3-(trifluoromethyl)phenyl]acetonitrile
CID 5004685
(1R,2S)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171263350
1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]propane-2-thione
CID 149226148

Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethanimidate?
The IUPAC name of ethyl (1Z)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethanimidate (CID 146169728) is ethyl (1Z)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethanimidate.
What is the SMILES notation for ethyl (1Z)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethanimidate?
The canonical SMILES for ethyl (1Z)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethanimidate is CCO/C(C)=N\OCc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of ethyl (1Z)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethanimidate?
The InChIKey is KHYLROCBDIQUGK-IUXPMGMMSA-N. The full InChI is InChI=1S/C12H13ClF3NO2/c1-3-18-8(2)17-19-7-9-4-5-11(13)10(6-9)12(14,15)16/h4-6H,3,7H2,1-2H3/b17-8-.
What are the key properties of ethyl (1Z)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethanimidate?
ethyl (1Z)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethanimidate has a molecular weight of 295.69 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]ethanimidate is sourced from PubChem (CID 146169728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).