(E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine

C14H8F5NO — CID 11449464

IUPAC(E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine
SMILESFc1cc(F)cc(/C=N/Oc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H8F5NO/c15-10-5-9(6-11(16)7-10)8-20-21-13-4-2-1-3-12(13)14(17,18)19/h1-8H/b20-8+
InChIKeyHANSNSDMBUDIBU-DNTJNYDQSA-N
MW301.21 g/mol
LogP4.40
Rot. Bonds3

About (E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine

(E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine (PubChem CID 11449464) has the molecular formula C14H8F5NO and a molecular weight of 301.21 g/mol. Its IUPAC name is (E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine
PubChem CID11449464
Molecular FormulaC14H8F5NO
Molecular Weight301.21 g/mol
Exact Mass301.05
IUPAC Name(E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine
SMILESFc1cc(F)cc(/C=N/Oc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H8F5NO/c15-10-5-9(6-11(16)7-10)8-20-21-13-4-2-1-3-12(13)14(17,18)19/h1-8H/b20-8+
InChIKeyHANSNSDMBUDIBU-DNTJNYDQSA-N
XLogP4.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.40
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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Related Compounds

2-(4-Fluorophenoxy)benzenecarbaldehyde oxime
CID 5709638
Copper, ((2,2'-(1,2-ethanediylbis((nitrilo-kappaN)methylidyne))bis(phenolato-kappaO))(2-))-, (SP-4-2)-
CID 12544621
(E)-4,5-Difluoro-2-hydroxybenzaldehyde O-methyl oxime (23)
CID 136661647
7-Fluoro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 155533851
Salcomine
CID 26517
(E)-N-phenoxy-1-phenylmethanimine
CID 11458266
Benzaldehyde, o-[(pentafluorophenyl)methyl]oxime
CID 9603583
Bis(3-fluorosalicylal)ethylenediaminecobalt(II)
CID 138396233
(2-Hydroxybenzaldehyde thiobenzoylhydrazonato)ammino-cadmium(II)
CID 9589014
(2-Hydroxybenzaldehyde thiobenzoylhydrazonato)ammino-zinc(II)
CID 9589015
(2-Hydroxybenzaldehyde thiobenzoylhydrazonato)ammino-nickel(II)
CID 9589016
(2-Hydroxybenzaldehyde thiobenzoylhydrazonato)ammino-palladium(II)
CID 9589027

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine?
The IUPAC name of (E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine (CID 11449464) is (E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine.
What is the SMILES notation for (E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine?
The canonical SMILES for (E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine is Fc1cc(F)cc(/C=N/Oc2ccccc2C(F)(F)F)c1.
What is the InChIKey of (E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine?
The InChIKey is HANSNSDMBUDIBU-DNTJNYDQSA-N. The full InChI is InChI=1S/C14H8F5NO/c15-10-5-9(6-11(16)7-10)8-20-21-13-4-2-1-3-12(13)14(17,18)19/h1-8H/b20-8+.
What are the key properties of (E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine?
(E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine has a molecular weight of 301.21 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine is sourced from PubChem (CID 11449464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).