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

C20H21FOSi — CID 72723159

IUPAC(2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one
SMILESC[Si](C)(c1ccccc1)C1CCC(=O)/C1=C/c1ccc(F)cc1
InChIInChI=1S/C20H21FOSi/c1-23(2,17-6-4-3-5-7-17)20-13-12-19(22)18(20)14-15-8-10-16(21)11-9-15/h3-11,14,20H,12-13H2,1-2H3/b18-14-
InChIKeyKHLJLPJNKHNENM-JXAWBTAJSA-N
MW324.47 g/mol
LogP4.56
Rot. Bonds3

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

(2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one (PubChem CID 72723159) has the molecular formula C20H21FOSi and a molecular weight of 324.47 g/mol. Its IUPAC name is (2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one
PubChem CID72723159
Molecular FormulaC20H21FOSi
Molecular Weight324.47 g/mol
Exact Mass324.13
IUPAC Name(2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one
SMILESC[Si](C)(c1ccccc1)C1CCC(=O)/C1=C/c1ccc(F)cc1
InChIInChI=1S/C20H21FOSi/c1-23(2,17-6-4-3-5-7-17)20-13-12-19(22)18(20)14-15-8-10-16(21)11-9-15/h3-11,14,20H,12-13H2,1-2H3/b18-14-
InChIKeyKHLJLPJNKHNENM-JXAWBTAJSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.56
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,6E)-2,6-bis(2-fluorobenzylidene)cyclohexanone
CID 20416677
2,6-Bis(4-fluorobenzylidene)cyclohexanone
CID 1551384
(2E,5E)-2,5-bis[(4-fluorophenyl)methylidene]cyclopentan-1-one
CID 1551387
(6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one
CID 155667039
2,5-Dibenzylidenecyclopentanone
CID 5377539
(2E,6E)-2,6-bis[(3-fluorophenyl)methylidene]cyclohexan-1-one
CID 6258021
2,5-Bis-(4-methyl-benzylidene)-cyclopentanone
CID 5291033
Cyclopentanone, 2,5-bis[3-phenyl-2-propen-1-ylidene]-
CID 5714142
(2E,6Z)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one
CID 1551382
(2E,5E)‐2,5‐bis(2‐phenylpropylidene)cyclopentan‐1‐ one (16)
CID 76401537
(2E,5E)-2,5-bis[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
CID 24814630
(2E,5E)-2,5-bis[[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
CID 50906438

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one?
The IUPAC name of (2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one (CID 72723159) is (2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one.
What is the SMILES notation for (2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one?
The canonical SMILES for (2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one is C[Si](C)(c1ccccc1)C1CCC(=O)/C1=C/c1ccc(F)cc1.
What is the InChIKey of (2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one?
The InChIKey is KHLJLPJNKHNENM-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H21FOSi/c1-23(2,17-6-4-3-5-7-17)20-13-12-19(22)18(20)14-15-8-10-16(21)11-9-15/h3-11,14,20H,12-13H2,1-2H3/b18-14-.
What are the key properties of (2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one?
(2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one has a molecular weight of 324.47 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[dimethyl(phenyl)silyl]-2-[(4-fluorophenyl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 72723159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).