5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one

C16H9F4NO — CID 71246090

IUPAC5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H9F4NO/c17-11-5-6-14-12(8-11)13(15(22)21-14)7-9-1-3-10(4-2-9)16(18,19)20/h1-8H,(H,21,22)
InChIKeyDMFNOCYRWSUEOE-UHFFFAOYSA-N
MW307.25 g/mol
LogP4.34
Rot. Bonds1

About 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one

5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one (PubChem CID 71246090) has the molecular formula C16H9F4NO and a molecular weight of 307.25 g/mol. Its IUPAC name is 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
PubChem CID71246090
Molecular FormulaC16H9F4NO
Molecular Weight307.25 g/mol
Exact Mass307.06
IUPAC Name5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H9F4NO/c17-11-5-6-14-12(8-11)13(15(22)21-14)7-9-1-3-10(4-2-9)16(18,19)20/h1-8H,(H,21,22)
InChIKeyDMFNOCYRWSUEOE-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

5-fluoro-3-[[3-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246047
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 92958265
5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 171130402
CID 73212798
CID 73212798
3-[(4-tert-butylphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 4605716
5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 3450009
3-[(2,4-difluorophenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57050513
3-[[2-fluoro-5-(trifluoromethyl)phenyl]methylidene]-5-iodo-1H-indol-2-one
CID 57011330
3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one
CID 54022737
(3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 22500239
3-(dimethylaminomethylidene)-5-fluoro-1H-indol-2-one
CID 70497193

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one (CID 71246090) is 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one is O=C1Nc2ccc(F)cc2C1=Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is DMFNOCYRWSUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4NO/c17-11-5-6-14-12(8-11)13(15(22)21-14)7-9-1-3-10(4-2-9)16(18,19)20/h1-8H,(H,21,22).
What are the key properties of 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one?
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 307.25 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 71246090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).