4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol

C14H8ClF4NO — CID 162650883

IUPAC4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H8ClF4NO/c15-10-2-4-13(21)8(5-10)7-20-12-6-9(14(17,18)19)1-3-11(12)16/h1-7,21H/b20-7+
InChIKeySNVTVWGAKCDGAR-IFRROFPPSA-N
MW317.67 g/mol
LogP4.95
Rot. Bonds2

About 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol

4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 162650883) has the molecular formula C14H8ClF4NO and a molecular weight of 317.67 g/mol. Its IUPAC name is 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID162650883
Molecular FormulaC14H8ClF4NO
Molecular Weight317.67 g/mol
Exact Mass317.02
IUPAC Name4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H8ClF4NO/c15-10-2-4-13(21)8(5-10)7-20-12-6-9(14(17,18)19)1-3-11(12)16/h1-7,21H/b20-7+
InChIKeySNVTVWGAKCDGAR-IFRROFPPSA-N
XLogP4.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.67
LogP ≤ 54.95
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-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137068909
4-chloro-2-[(3-fluoro-2-methylphenyl)iminomethyl]phenol
CID 135657382
2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 3382643
4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 135648337
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid
CID 961431
4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 162659279
4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
CID 135757927
2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779811
2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethylphenol
CID 759206
4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol
CID 780549
4-tert-butyl-2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenol
CID 3109077
2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
CID 135595304

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 162650883) is 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is SNVTVWGAKCDGAR-IFRROFPPSA-N. The full InChI is InChI=1S/C14H8ClF4NO/c15-10-2-4-13(21)8(5-10)7-20-12-6-9(14(17,18)19)1-3-11(12)16/h1-7,21H/b20-7+.
What are the key properties of 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 317.67 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 162650883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).