(E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine

C18H15F5N2O — CID 19368359

IUPAC(E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/C=N/N=C/c2cc(F)c(OCC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C18H15F5N2O/c1-2-12-3-5-13(6-4-12)9-24-25-10-14-7-15(19)17(16(20)8-14)26-11-18(21,22)23/h3-10H,2,11H2,1H3/b24-9+,25-10+
InChIKeyRGNDDLXTDAWNNO-HGELYGIESA-N
MW370.32 g/mol
LogP4.92
Rot. Bonds6

About (E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine

(E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine (PubChem CID 19368359) has the molecular formula C18H15F5N2O and a molecular weight of 370.32 g/mol. Its IUPAC name is (E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine
PubChem CID19368359
Molecular FormulaC18H15F5N2O
Molecular Weight370.32 g/mol
Exact Mass370.11
IUPAC Name(E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/C=N/N=C/c2cc(F)c(OCC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C18H15F5N2O/c1-2-12-3-5-13(6-4-12)9-24-25-10-14-7-15(19)17(16(20)8-14)26-11-18(21,22)23/h3-10H,2,11H2,1H3/b24-9+,25-10+
InChIKeyRGNDDLXTDAWNNO-HGELYGIESA-N
XLogP4.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 54.92
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine?
The IUPAC name of (E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine (CID 19368359) is (E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine is CCc1ccc(/C=N/N=C/c2cc(F)c(OCC(F)(F)F)c(F)c2)cc1.
What is the InChIKey of (E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine?
The InChIKey is RGNDDLXTDAWNNO-HGELYGIESA-N. The full InChI is InChI=1S/C18H15F5N2O/c1-2-12-3-5-13(6-4-12)9-24-25-10-14-7-15(19)17(16(20)8-14)26-11-18(21,22)23/h3-10H,2,11H2,1H3/b24-9+,25-10+.
What are the key properties of (E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine?
(E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine has a molecular weight of 370.32 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine is sourced from PubChem (CID 19368359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).