(3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one

C16H8F5NO2 — CID 71246048

IUPAC(3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)c(F)c2/C1=C/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H8F5NO2/c17-11-4-5-12-13(14(11)18)10(15(23)22-12)7-8-2-1-3-9(6-8)24-16(19,20)21/h1-7H,(H,22,23)/b10-7-
InChIKeyTZCCUBQVTHRPNZ-YFHOEESVSA-N
MW341.24 g/mol
LogP4.36
Rot. Bonds2

About (3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one

(3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one (PubChem CID 71246048) has the molecular formula C16H8F5NO2 and a molecular weight of 341.24 g/mol. Its IUPAC name is (3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one
PubChem CID71246048
Molecular FormulaC16H8F5NO2
Molecular Weight341.24 g/mol
Exact Mass341.05
IUPAC Name(3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)c(F)c2/C1=C/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H8F5NO2/c17-11-4-5-12-13(14(11)18)10(15(23)22-12)7-8-2-1-3-9(6-8)24-16(19,20)21/h1-7H,(H,22,23)/b10-7-
InChIKeyTZCCUBQVTHRPNZ-YFHOEESVSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3E)-5-chloro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one
CID 71245718
6-chloro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one
CID 71245952
6-fluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one
CID 71245803
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-4,5-difluoro-1H-indol-2-one
CID 11220824
5-fluoro-3-[[3-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246047
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-5-(trifluoromethoxy)-1H-indol-2-one
CID 69305785
5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one
CID 3252421
(3E)-3-[(3-hydrazinyl-4-methylphenyl)methylidene]-5-(trifluoromethoxy)-1H-indol-2-one
CID 143823052
5-bromo-3-[(3,4-difluorophenyl)methylidene]-4-methyl-1H-indol-2-one
CID 57131127
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799
5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 171130402

Frequently Asked Questions

What is the IUPAC name of (3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one (CID 71246048) is (3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one is O=C1Nc2ccc(F)c(F)c2/C1=C/c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is TZCCUBQVTHRPNZ-YFHOEESVSA-N. The full InChI is InChI=1S/C16H8F5NO2/c17-11-4-5-12-13(14(11)18)10(15(23)22-12)7-8-2-1-3-9(6-8)24-16(19,20)21/h1-7H,(H,22,23)/b10-7-.
What are the key properties of (3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one?
(3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 341.24 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4,5-difluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 71246048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).