3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one

C17H10F3NO2 — CID 135442002

IUPAC3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one
SMILESO=C1C(/C=N/c2cccc(C(F)(F)F)c2)=C(O)c2ccccc21
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)10-4-3-5-11(8-10)21-9-14-15(22)12-6-1-2-7-13(12)16(14)23/h1-9,22H/b21-9+
InChIKeyXXMPHPLMYHJQCV-ZVBGSRNCSA-N
MW317.27 g/mol
LogP4.57
Rot. Bonds2

About 3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one

3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one (PubChem CID 135442002) has the molecular formula C17H10F3NO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one
PubChem CID135442002
Molecular FormulaC17H10F3NO2
Molecular Weight317.27 g/mol
Exact Mass317.07
IUPAC Name3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one
SMILESO=C1C(/C=N/c2cccc(C(F)(F)F)c2)=C(O)c2ccccc21
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)10-4-3-5-11(8-10)21-9-14-15(22)12-6-1-2-7-13(12)16(14)23/h1-9,22H/b21-9+
InChIKeyXXMPHPLMYHJQCV-ZVBGSRNCSA-N
XLogP4.57
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1H-Indene-1,3(2H)-dione, 2-((phenylamino)methylene)-
CID 135416862
2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-dione
CID 135417048
1H-Indene-1,3(2H)-dione, 2-[[(methylphenyl)amino]methylene]-
CID 135436083
2-{[(4-fluorophenyl)amino]methylidene}-2,3-dihydro-1H-indene-1,3-dione
CID 135455120
2-[(2-Hydroxy-5-methylanilino)methylidene]indene-1,3-dione
CID 135406177
2-[(2-Hydroxyanilino)methylidene]indene-1,3-dione
CID 135450216
2-(1,3-Dioxocyclopenta[3,4-a]benzen-2-ylidene)-2-[(3-fluorophenyl)amino]ethane nitrile
CID 135441651
3-(2-Fluorophenyl)imino-1-hydroxy-4-oxonaphthalene-2-carboxylic acid
CID 136266101
3-(4-Fluorophenyl)imino-1-hydroxy-4-oxonaphthalene-2-carboxylic acid
CID 136266903
3-(3-Fluorophenyl)imino-1-hydroxy-4-oxonaphthalene-2-carboxylic acid
CID 136276909
Cyto5C9
CID 135408219
2-{1-[(4-fluorobenzyl)amino]ethylidene}-1H-indene-1,3(2H)-dione
CID 135411555

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one?
The IUPAC name of 3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one (CID 135442002) is 3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one.
What is the SMILES notation for 3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one?
The canonical SMILES for 3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one is O=C1C(/C=N/c2cccc(C(F)(F)F)c2)=C(O)c2ccccc21.
What is the InChIKey of 3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one?
The InChIKey is XXMPHPLMYHJQCV-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H10F3NO2/c18-17(19,20)10-4-3-5-11(8-10)21-9-14-15(22)12-6-1-2-7-13(12)16(14)23/h1-9,22H/b21-9+.
What are the key properties of 3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one?
3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one has a molecular weight of 317.27 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]inden-1-one is sourced from PubChem (CID 135442002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).