3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one

C21H21F3OSi — CID 154720498

IUPAC3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
SMILESC[Si](C)(c1ccccc1)C1CCC(=O)C1=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3OSi/c1-26(2,17-6-4-3-5-7-17)20-13-12-19(25)18(20)14-15-8-10-16(11-9-15)21(22,23)24/h3-11,14,20H,12-13H2,1-2H3
InChIKeyMLYDDPJFZOQPMW-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.44
Rot. Bonds3

About 3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one

3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one (PubChem CID 154720498) has the molecular formula C21H21F3OSi and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
PubChem CID154720498
Molecular FormulaC21H21F3OSi
Molecular Weight374.48 g/mol
Exact Mass374.13
IUPAC Name3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
SMILESC[Si](C)(c1ccccc1)C1CCC(=O)C1=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3OSi/c1-26(2,17-6-4-3-5-7-17)20-13-12-19(25)18(20)14-15-8-10-16(11-9-15)21(22,23)24/h3-11,14,20H,12-13H2,1-2H3
InChIKeyMLYDDPJFZOQPMW-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,5E)-2,5-bis[(4-fluorophenyl)methylidene]cyclopentan-1-one
CID 1551387
2,5-Dibenzylidenecyclopentanone
CID 5377539
2,6-Bis(4-(trifluoromethyl)benzylidene)cyclohexanone
CID 5702948
2,5-Bis-(4-methyl-benzylidene)-cyclopentanone
CID 5291033
Cyclopentanone, 2,5-bis[3-phenyl-2-propen-1-ylidene]-
CID 5714142
(2E,5E)-2,5-bis[[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
CID 50906438
(2E,5E)-2,5-Bis({[4-(trifluoromethyl)phenyl]methylidene})cyclopentan-1-one
CID 5907238
(2E,5E)-2,5-bis[(3-fluorophenyl)methylidene]cyclopentan-1-one
CID 6258020
(2E,5E)-2-(2-Methylpropylidene)-5-{[4-(trifluoromethyl)phenyl]methylidene}cyclopentan-1-one
CID 23747853
(1E,4E)-1-Phenyl-5-[4-(trifluoromethyl)phenyl]-1,4-pentadiene-3-one
CID 68181951
(1E,6E)-1,7-bis[4-(trifluoromethyl)phenyl]hepta-1,6-diene-3,5-dione
CID 90776291
Cyclopentanone, 2,5-dibenzylidene-
CID 6436781

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one?
The IUPAC name of 3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one (CID 154720498) is 3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one.
What is the SMILES notation for 3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one?
The canonical SMILES for 3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one is C[Si](C)(c1ccccc1)C1CCC(=O)C1=Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one?
The InChIKey is MLYDDPJFZOQPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3OSi/c1-26(2,17-6-4-3-5-7-17)20-13-12-19(25)18(20)14-15-8-10-16(11-9-15)21(22,23)24/h3-11,14,20H,12-13H2,1-2H3.
What are the key properties of 3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one?
3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one has a molecular weight of 374.48 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(phenyl)silyl]-2-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one is sourced from PubChem (CID 154720498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).