(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine

C16H11ClF5NO — CID 88957299

IUPAC(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine
SMILESC/C(=N\OCc1c(F)cccc1F)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C16H11ClF5NO/c1-9(11-7-10(17)5-6-13(11)16(20,21)22)23-24-8-12-14(18)3-2-4-15(12)19/h2-7H,8H2,1H3/b23-9+
InChIKeyQPDHSIUZUGNVRE-NUGSKGIGSA-N
MW363.71 g/mol
LogP5.58
Rot. Bonds4

About (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine (PubChem CID 88957299) has the molecular formula C16H11ClF5NO and a molecular weight of 363.71 g/mol. Its IUPAC name is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine
PubChem CID88957299
Molecular FormulaC16H11ClF5NO
Molecular Weight363.71 g/mol
Exact Mass363.04
IUPAC Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine
SMILESC/C(=N\OCc1c(F)cccc1F)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C16H11ClF5NO/c1-9(11-7-10(17)5-6-13(11)16(20,21)22)23-24-8-12-14(18)3-2-4-15(12)19/h2-7H,8H2,1H3/b23-9+
InChIKeyQPDHSIUZUGNVRE-NUGSKGIGSA-N
XLogP5.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.71
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine?
The IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine (CID 88957299) is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine.
What is the SMILES notation for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine?
The canonical SMILES for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine is C/C(=N\OCc1c(F)cccc1F)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine?
The InChIKey is QPDHSIUZUGNVRE-NUGSKGIGSA-N. The full InChI is InChI=1S/C16H11ClF5NO/c1-9(11-7-10(17)5-6-13(11)16(20,21)22)23-24-8-12-14(18)3-2-4-15(12)19/h2-7H,8H2,1H3/b23-9+.
What are the key properties of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine?
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine has a molecular weight of 363.71 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine is sourced from PubChem (CID 88957299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).