2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one

C17H9ClF3NO2 — CID 135427639

IUPAC2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)=C(O)c2ccccc21
InChIInChI=1S/C17H9ClF3NO2/c18-14-6-5-9(7-13(14)17(19,20)21)22-8-12-15(23)10-3-1-2-4-11(10)16(12)24/h1-8,23H/b22-8+
InChIKeyDDNFEHGSQKJCSP-GZIVZEMBSA-N
MW351.71 g/mol
LogP5.23
Rot. Bonds2

About 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one

2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one (PubChem CID 135427639) has the molecular formula C17H9ClF3NO2 and a molecular weight of 351.71 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one
PubChem CID135427639
Molecular FormulaC17H9ClF3NO2
Molecular Weight351.71 g/mol
Exact Mass351.03
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)=C(O)c2ccccc21
InChIInChI=1S/C17H9ClF3NO2/c18-14-6-5-9(7-13(14)17(19,20)21)22-8-12-15(23)10-3-1-2-4-11(10)16(12)24/h1-8,23H/b22-8+
InChIKeyDDNFEHGSQKJCSP-GZIVZEMBSA-N
XLogP5.23
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.71
LogP ≤ 55.23
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

2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135595594
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxycyclohex-2-en-1-one
CID 135672019
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
CID 135519558
2-[[3-(benzylideneamino)phenyl]iminomethyl]-3-hydroxyinden-1-one
CID 170908147
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol
CID 4532078
3-hydroxy-2-[(4-nitrophenyl)iminomethyl]inden-1-one
CID 135403431
4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide
CID 135456482
anthracene-9,10-dione;4-chloro-3-(trifluoromethyl)benzenesulfonic acid
CID 175116393
2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one
CID 135498573
3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
CID 135672018
3-hydroxy-2-(1,3-thiazol-2-yliminomethyl)inden-1-one
CID 135476333
2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one
CID 135432540

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one (CID 135427639) is 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one is O=C1C(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)=C(O)c2ccccc21.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one?
The InChIKey is DDNFEHGSQKJCSP-GZIVZEMBSA-N. The full InChI is InChI=1S/C17H9ClF3NO2/c18-14-6-5-9(7-13(14)17(19,20)21)22-8-12-15(23)10-3-1-2-4-11(10)16(12)24/h1-8,23H/b22-8+.
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one?
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one has a molecular weight of 351.71 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135427639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).