(1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one

C23H14F2O — CID 2387034

IUPAC(1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one
SMILESO=C1/C(=C\c2ccc(F)cc2)c2ccccc2/C1=C/c1ccc(F)cc1
InChIInChI=1S/C23H14F2O/c24-17-9-5-15(6-10-17)13-21-19-3-1-2-4-20(19)22(23(21)26)14-16-7-11-18(25)12-8-16/h1-14H/b21-13-,22-14-
InChIKeyKYXLZZSYWPELOU-JZTLMNBPSA-N
MW344.36 g/mol
LogP5.63
Rot. Bonds2

About (1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one

(1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one (PubChem CID 2387034) has the molecular formula C23H14F2O and a molecular weight of 344.36 g/mol. Its IUPAC name is (1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one.

Molecular Properties

Compound Name(1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one
PubChem CID2387034
Molecular FormulaC23H14F2O
Molecular Weight344.36 g/mol
Exact Mass344.10
IUPAC Name(1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one
SMILESO=C1/C(=C\c2ccc(F)cc2)c2ccccc2/C1=C/c1ccc(F)cc1
InChIInChI=1S/C23H14F2O/c24-17-9-5-15(6-10-17)13-21-19-3-1-2-4-20(19)22(23(21)26)14-16-7-11-18(25)12-8-16/h1-14H/b21-13-,22-14-
InChIKeyKYXLZZSYWPELOU-JZTLMNBPSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one
CID 964242
4,5-dichloro-2-[(4-fluorophenyl)methylidene]cyclopent-4-ene-1,3-dione
CID 71371497
(9E)-9-[(4-fluorophenyl)methylidene]-2-propan-2-ylfluorene
CID 170544032
(6E)-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 5396603
3-[(4-fluorophenyl)methylidene]chromen-4-one
CID 901865
(1E,3Z)-1-benzylidene-3-[[dimethyl(phenyl)silyl]methylidene]inden-2-one
CID 24858896
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
(4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 6139821
(2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid
CID 155555177
(5Z)-5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 2056044
5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 2836561
3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one
CID 2802336

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one?
The IUPAC name of (1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one (CID 2387034) is (1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one.
What is the SMILES notation for (1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one?
The canonical SMILES for (1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one is O=C1/C(=C\c2ccc(F)cc2)c2ccccc2/C1=C/c1ccc(F)cc1.
What is the InChIKey of (1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one?
The InChIKey is KYXLZZSYWPELOU-JZTLMNBPSA-N. The full InChI is InChI=1S/C23H14F2O/c24-17-9-5-15(6-10-17)13-21-19-3-1-2-4-20(19)22(23(21)26)14-16-7-11-18(25)12-8-16/h1-14H/b21-13-,22-14-.
What are the key properties of (1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one?
(1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one has a molecular weight of 344.36 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one is sourced from PubChem (CID 2387034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).