2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate

C23H16F6NO- — CID 150872098

IUPAC2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate
SMILES[H]/N=C(\[O-])c1c(Cc2ccc(C(F)(F)F)cc2)cccc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F6NO/c24-22(25,26)18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)21(30)31)13-15-6-10-19(11-7-15)23(27,28)29/h1-11H,12-13H2,(H2,30,31)/p-1
InChIKeyKUGDSCVMKFQKBP-UHFFFAOYSA-M
MW436.38 g/mol
LogP5.59
Rot. Bonds5

About 2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate

2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate (PubChem CID 150872098) has the molecular formula C23H16F6NO- and a molecular weight of 436.38 g/mol. Its IUPAC name is 2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate.

Molecular Properties

Compound Name2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate
PubChem CID150872098
Molecular FormulaC23H16F6NO-
Molecular Weight436.38 g/mol
Exact Mass436.11
IUPAC Name2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate
SMILES[H]/N=C(\[O-])c1c(Cc2ccc(C(F)(F)F)cc2)cccc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F6NO/c24-22(25,26)18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)21(30)31)13-15-6-10-19(11-7-15)23(27,28)29/h1-11H,12-13H2,(H2,30,31)/p-1
InChIKeyKUGDSCVMKFQKBP-UHFFFAOYSA-M
XLogP5.59
TPSA46.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.38
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
CID 166442990
(E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 13282529
1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 53949921
(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine
CID 59021079
(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 59021166
1-[2,4-bis(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine
CID 72491650
1-[2,4-bis(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 72491729
1-[2,5-bis(trifluoromethyl)phenyl]-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine
CID 88363042
(E)-N-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanimine
CID 88957394
(E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 88957500
(E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine
CID 88957502
N-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanimine
CID 123218226

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate?
The IUPAC name of 2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate (CID 150872098) is 2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate.
What is the SMILES notation for 2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate?
The canonical SMILES for 2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate is [H]/N=C(\[O-])c1c(Cc2ccc(C(F)(F)F)cc2)cccc1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate?
The InChIKey is KUGDSCVMKFQKBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H17F6NO/c24-22(25,26)18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)21(30)31)13-15-6-10-19(11-7-15)23(27,28)29/h1-11H,12-13H2,(H2,30,31)/p-1.
What are the key properties of 2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate?
2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate has a molecular weight of 436.38 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidate is sourced from PubChem (CID 150872098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).