2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol

C14H9ClF3NO — CID 135595594

IUPAC2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3NO/c15-12-6-5-10(7-11(12)14(16,17)18)19-8-9-3-1-2-4-13(9)20/h1-8,20H/b19-8+
InChIKeyNLBFZQCOVUFPHS-UFWORHAWSA-N
MW299.68 g/mol
LogP4.82
Rot. Bonds2

About 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol

2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 135595594) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID135595594
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3NO/c15-12-6-5-10(7-11(12)14(16,17)18)19-8-9-3-1-2-4-13(9)20/h1-8,20H/b19-8+
InChIKeyNLBFZQCOVUFPHS-UFWORHAWSA-N
XLogP4.82
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.82
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-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol
CID 4532078
2-[(4-chloro-3-methylphenyl)iminomethyl]phenol
CID 135657353
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one
CID 135427639
2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
CID 964874
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxycyclohex-2-en-1-one
CID 135672019
1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine
CID 23340671
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
2-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]iminomethyl]phenol
CID 3674145
dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol
CID 135967283
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[[6-[(2-hydroxyphenyl)methylideneamino]-9H-carbazol-3-yl]iminomethyl]phenol
CID 136828590
2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol
CID 170941504

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 135595594) is 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is NLBFZQCOVUFPHS-UFWORHAWSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-12-6-5-10(7-11(12)14(16,17)18)19-8-9-3-1-2-4-13(9)20/h1-8,20H/b19-8+.
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol?
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 299.68 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135595594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).