2-[(E)-trifluoromethyliminomethyl]phenol

C8H6F3NO — CID 177436238

IUPAC2-[(E)-trifluoromethyliminomethyl]phenol
SMILESOc1ccccc1/C=N/C(F)(F)F
InChIInChI=1S/C8H6F3NO/c9-8(10,11)12-5-6-3-1-2-4-7(6)13/h1-5,13H/b12-5+
InChIKeyHPIJFTLCUTWGEL-LFYBBSHMSA-N
MW189.14 g/mol
LogP2.33
Rot. Bonds1

About 2-[(E)-trifluoromethyliminomethyl]phenol

2-[(E)-trifluoromethyliminomethyl]phenol (PubChem CID 177436238) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 2-[(E)-trifluoromethyliminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-trifluoromethyliminomethyl]phenol
PubChem CID177436238
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name2-[(E)-trifluoromethyliminomethyl]phenol
SMILESOc1ccccc1/C=N/C(F)(F)F
InChIInChI=1S/C8H6F3NO/c9-8(10,11)12-5-6-3-1-2-4-7(6)13/h1-5,13H/b12-5+
InChIKeyHPIJFTLCUTWGEL-LFYBBSHMSA-N
XLogP2.33
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-fluoroiminomethyl]phenol
CID 137273576
2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal
CID 136613128
2-(2-methylbutan-2-yliminomethyl)phenol
CID 153389272
2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate
CID 136744013
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
zinc 2-(methyliminomethyl)phenol
CID 135422153
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
ethane;2-(methyliminomethyl)phenol
CID 136650397
2-(tripyridin-2-ylmethyliminomethyl)phenol
CID 136611669
CID 155704691
CID 155704691
sodium;hydride;2-[(Z)-hydroxyiminomethyl]phenol
CID 173437393
2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766507

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-trifluoromethyliminomethyl]phenol?
The IUPAC name of 2-[(E)-trifluoromethyliminomethyl]phenol (CID 177436238) is 2-[(E)-trifluoromethyliminomethyl]phenol.
What is the SMILES notation for 2-[(E)-trifluoromethyliminomethyl]phenol?
The canonical SMILES for 2-[(E)-trifluoromethyliminomethyl]phenol is Oc1ccccc1/C=N/C(F)(F)F.
What is the InChIKey of 2-[(E)-trifluoromethyliminomethyl]phenol?
The InChIKey is HPIJFTLCUTWGEL-LFYBBSHMSA-N. The full InChI is InChI=1S/C8H6F3NO/c9-8(10,11)12-5-6-3-1-2-4-7(6)13/h1-5,13H/b12-5+.
What are the key properties of 2-[(E)-trifluoromethyliminomethyl]phenol?
2-[(E)-trifluoromethyliminomethyl]phenol has a molecular weight of 189.14 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-trifluoromethyliminomethyl]phenol is sourced from PubChem (CID 177436238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).