2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol

C15H9F6NO — CID 641191

IUPAC2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9F6NO/c16-14(17,18)10-5-11(15(19,20)21)7-12(6-10)22-8-9-3-1-2-4-13(9)23/h1-8,23H/b22-8+
InChIKeyMQODJDYFSNBBDJ-GZIVZEMBSA-N
MW333.23 g/mol
LogP5.18
Rot. Bonds2

About 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol

2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 641191) has the molecular formula C15H9F6NO and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID641191
Molecular FormulaC15H9F6NO
Molecular Weight333.23 g/mol
Exact Mass333.06
IUPAC Name2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9F6NO/c16-14(17,18)10-5-11(15(19,20)21)7-12(6-10)22-8-9-3-1-2-4-13(9)23/h1-8,23H/b22-8+
InChIKeyMQODJDYFSNBBDJ-GZIVZEMBSA-N
XLogP5.18
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.23
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-salicylidene-o-aminophenol
CID 74479
Salicylideneaniline
CID 136621
4-Benzylideneaminophenol
CID 11501
Alpha-(4-hydroxyphenylimino)-O-cresol
CID 219803
Alpha-(4-hydroxyphenylimino)-P-cresol
CID 473148
N,N'-Bis(2-hydroxybenzylidene)-1,4-phenylenediamine
CID 219626
Alpha-(4-cyanophenylimino)-O-cresol
CID 273755
Mls002920165
CID 280649
4-{(E)-[(4-methylphenyl)imino]methyl}phenol
CID 611166
3-Fluoro-N-(2-hydroxybenzylidene)aniline
CID 3827791
4-[[(4-Fluorophenyl)imino]methyl]phenol
CID 720254
2-(Benzylideneamino)phenol
CID 219809

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol (CID 641191) is 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is MQODJDYFSNBBDJ-GZIVZEMBSA-N. The full InChI is InChI=1S/C15H9F6NO/c16-14(17,18)10-5-11(15(19,20)21)7-12(6-10)22-8-9-3-1-2-4-13(9)23/h1-8,23H/b22-8+.
What are the key properties of 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol?
2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 333.23 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 641191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).