(2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one

C16H23FO2Si — CID 44556375

IUPAC(2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one
SMILESC[Si](C)(C)O[C@@H](c1ccc(F)cc1)[C@@H]1CCCCC1=O
InChIInChI=1S/C16H23FO2Si/c1-20(2,3)19-16(12-8-10-13(17)11-9-12)14-6-4-5-7-15(14)18/h8-11,14,16H,4-7H2,1-3H3/t14-,16+/m1/s1
InChIKeyWPGJRHIUWDUDOK-ZBFHGGJFSA-N
MW294.44 g/mol
LogP4.48
Rot. Bonds4

About (2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one

(2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one (PubChem CID 44556375) has the molecular formula C16H23FO2Si and a molecular weight of 294.44 g/mol. Its IUPAC name is (2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one
PubChem CID44556375
Molecular FormulaC16H23FO2Si
Molecular Weight294.44 g/mol
Exact Mass294.15
IUPAC Name(2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one
SMILESC[Si](C)(C)O[C@@H](c1ccc(F)cc1)[C@@H]1CCCCC1=O
InChIInChI=1S/C16H23FO2Si/c1-20(2,3)19-16(12-8-10-13(17)11-9-12)14-6-4-5-7-15(14)18/h8-11,14,16H,4-7H2,1-3H3/t14-,16+/m1/s1
InChIKeyWPGJRHIUWDUDOK-ZBFHGGJFSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[methoxy-(4-nitrophenyl)methyl]cyclohexan-1-one
CID 10956386
(2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one
CID 101013744
(2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one
CID 7207153
3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione
CID 15164067
(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one
CID 134922507
(2R)-2-[(S)-hydroxy-(4-methylphenyl)methyl]cyclododecan-1-one
CID 139176180
(2S)-2-(dimethoxymethyl)cyclohexan-1-one
CID 92982538
methyl 4-[(R)-hydroxy-[(1S)-2-oxocyclohexyl]methyl]benzoate
CID 16726034
methyl 4-[(S)-hydroxy-[(1R)-2-oxocyclohexyl]methyl]benzoate
CID 102029439
2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one
CID 132822025
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
(2R)-2-[(S)-(4-bromophenyl)-hydroxymethyl]cyclododecan-1-one
CID 71483121

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one?
The IUPAC name of (2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one (CID 44556375) is (2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one.
What is the SMILES notation for (2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one?
The canonical SMILES for (2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one is C[Si](C)(C)O[C@@H](c1ccc(F)cc1)[C@@H]1CCCCC1=O.
What is the InChIKey of (2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one?
The InChIKey is WPGJRHIUWDUDOK-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H23FO2Si/c1-20(2,3)19-16(12-8-10-13(17)11-9-12)14-6-4-5-7-15(14)18/h8-11,14,16H,4-7H2,1-3H3/t14-,16+/m1/s1.
What are the key properties of (2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one?
(2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one has a molecular weight of 294.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-(4-fluorophenyl)-trimethylsilyloxymethyl]cyclohexan-1-one is sourced from PubChem (CID 44556375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).