cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one

C12H23FOSi — CID 135055874

IUPACcis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)[C@@H]1CCC[C@H](F)C1=O
InChIInChI=1S/C12H23FOSi/c1-12(2,3)15(4,5)10-8-6-7-9(13)11(10)14/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1
InChIKeyBDPSGXKEQRAKFL-VHSXEESVSA-N
MW230.40 g/mol
LogP3.96
Rot. Bonds1

About cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one

cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one (PubChem CID 135055874) has the molecular formula C12H23FOSi and a molecular weight of 230.40 g/mol. Its IUPAC name is cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one
PubChem CID135055874
Molecular FormulaC12H23FOSi
Molecular Weight230.40 g/mol
Exact Mass230.15
IUPAC Namecis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)[C@@H]1CCC[C@H](F)C1=O
InChIInChI=1S/C12H23FOSi/c1-12(2,3)15(4,5)10-8-6-7-9(13)11(10)14/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1
InChIKeyBDPSGXKEQRAKFL-VHSXEESVSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one?
The IUPAC name of cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one (CID 135055874) is cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one.
What is the SMILES notation for cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one?
The canonical SMILES for cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one is CC(C)(C)[Si](C)(C)[C@@H]1CCC[C@H](F)C1=O.
What is the InChIKey of cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one?
The InChIKey is BDPSGXKEQRAKFL-VHSXEESVSA-N. The full InChI is InChI=1S/C12H23FOSi/c1-12(2,3)15(4,5)10-8-6-7-9(13)11(10)14/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1.
What are the key properties of cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one?
cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one has a molecular weight of 230.40 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one is sourced from PubChem (CID 135055874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).