2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol

C15H12F3NO — CID 135936259

IUPAC2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol
SMILESOc1ccccc1/C=N/Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H12F3NO/c16-15(17,18)13-7-3-1-5-11(13)9-19-10-12-6-2-4-8-14(12)20/h1-8,10,20H,9H2/b19-10+
InChIKeyHMABVHRHHQVOQW-VXLYETTFSA-N
MW279.26 g/mol
LogP4.03
Rot. Bonds3

About 2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol

2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol (PubChem CID 135936259) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol
PubChem CID135936259
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol
SMILESOc1ccccc1/C=N/Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H12F3NO/c16-15(17,18)13-7-3-1-5-11(13)9-19-10-12-6-2-4-8-14(12)20/h1-8,10,20H,9H2/b19-10+
InChIKeyHMABVHRHHQVOQW-VXLYETTFSA-N
XLogP4.03
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.03
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

2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol
CID 135829078
1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine
CID 11112260
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetic acid
CID 154015748
2-[(E)-trifluoromethyliminomethyl]phenol
CID 177436238
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
2-(trifluoromethyl)phenol
CID 162212145

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol (CID 135936259) is 2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol is Oc1ccccc1/C=N/Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol?
The InChIKey is HMABVHRHHQVOQW-VXLYETTFSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-15(17,18)13-7-3-1-5-11(13)9-19-10-12-6-2-4-8-14(12)20/h1-8,10,20H,9H2/b19-10+.
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol?
2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol has a molecular weight of 279.26 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol is sourced from PubChem (CID 135936259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).