(3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one

C16H9F4NO — CID 955415

IUPAC(3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccccc1F
InChIInChI=1S/C16H9F4NO/c17-13-4-2-1-3-9(13)7-12-11-6-5-10(16(18,19)20)8-14(11)21-15(12)22/h1-8H,(H,21,22)/b12-7-
InChIKeyHNOBVSPQPGFTOD-GHXNOFRVSA-N
MW307.25 g/mol
LogP4.34
Rot. Bonds1

About (3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one

(3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 955415) has the molecular formula C16H9F4NO and a molecular weight of 307.25 g/mol. Its IUPAC name is (3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID955415
Molecular FormulaC16H9F4NO
Molecular Weight307.25 g/mol
Exact Mass307.06
IUPAC Name(3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccccc1F
InChIInChI=1S/C16H9F4NO/c17-13-4-2-1-3-9(13)7-12-11-6-5-10(16(18,19)20)8-14(11)21-15(12)22/h1-8H,(H,21,22)/b12-7-
InChIKeyHNOBVSPQPGFTOD-GHXNOFRVSA-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

(3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one
CID 126112448
(3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 955225
3-[(2-fluorophenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57305075
3-[[2-fluoro-5-(trifluoromethyl)phenyl]methylidene]-5-iodo-1H-indol-2-one
CID 57011330
(3Z)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 126110677
(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 126107167
3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one
CID 66640531
(3E)-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 955231
(3E)-3-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374021
N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide
CID 2768382
(3E)-3-[(2-fluorophenyl)methylidene]-N-methyl-2-oxo-1H-indole-6-carboxamide;(3E)-3-[(2-fluorophenyl)methylidene]-2-oxo-1H-indole-6-carboxylic acid;methyl (3E)-3-[(2-fluorophenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
CID 160503418
(3Z)-3-[[4-[3-(dimethylamino)propoxy]-3-methylazulen-1-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 68580347

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one (CID 955415) is (3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccccc1F.
What is the InChIKey of (3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is HNOBVSPQPGFTOD-GHXNOFRVSA-N. The full InChI is InChI=1S/C16H9F4NO/c17-13-4-2-1-3-9(13)7-12-11-6-5-10(16(18,19)20)8-14(11)21-15(12)22/h1-8H,(H,21,22)/b12-7-.
What are the key properties of (3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one?
(3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-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 (3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 955415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).