N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine

C20H14F3NO2 — CID 10689667

IUPACN-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine
SMILESFC(F)(F)Oc1cccc(/C=N/c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H14F3NO2/c21-20(22,23)26-19-8-4-5-15(13-19)14-24-16-9-11-18(12-10-16)25-17-6-2-1-3-7-17/h1-14H/b24-14+
InChIKeyUIBLFZSJCOSXTN-ZVHZXABRSA-N
MW357.33 g/mol
LogP6.13
Rot. Bonds5

About N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine

N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine (PubChem CID 10689667) has the molecular formula C20H14F3NO2 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine
PubChem CID10689667
Molecular FormulaC20H14F3NO2
Molecular Weight357.33 g/mol
Exact Mass357.10
IUPAC NameN-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine
SMILESFC(F)(F)Oc1cccc(/C=N/c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H14F3NO2/c21-20(22,23)26-19-8-4-5-15(13-19)14-24-16-9-11-18(12-10-16)25-17-6-2-1-3-7-17/h1-14H/b24-14+
InChIKeyUIBLFZSJCOSXTN-ZVHZXABRSA-N
XLogP6.13
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.33
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951
1-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126217266
1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026
ethane;(NE)-N-[[3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 171091545
N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine
CID 23903931
N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine
CID 21205042
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine
CID 10881658
N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine
CID 24898173
N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 4505600
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine?
The IUPAC name of N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine (CID 10689667) is N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine.
What is the SMILES notation for N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine?
The canonical SMILES for N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine is FC(F)(F)Oc1cccc(/C=N/c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine?
The InChIKey is UIBLFZSJCOSXTN-ZVHZXABRSA-N. The full InChI is InChI=1S/C20H14F3NO2/c21-20(22,23)26-19-8-4-5-15(13-19)14-24-16-9-11-18(12-10-16)25-17-6-2-1-3-7-17/h1-14H/b24-14+.
What are the key properties of N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine?
N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine has a molecular weight of 357.33 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine is sourced from PubChem (CID 10689667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).