cis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one

C13H25FOSi — CID 15339852

IUPACcis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one
SMILESCC(C)(C)[Si](C)(C)[C@@H]1CCCC[C@H](F)C1=O
InChIInChI=1S/C13H25FOSi/c1-13(2,3)16(4,5)11-9-7-6-8-10(14)12(11)15/h10-11H,6-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyXHHNHCPIZCJPCB-WDEREUQCSA-N
MW244.43 g/mol
LogP4.35
Rot. Bonds1

About cis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one

cis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one (PubChem CID 15339852) has the molecular formula C13H25FOSi and a molecular weight of 244.43 g/mol. Its IUPAC name is cis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one.

Molecular Properties

Compound Namecis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one
PubChem CID15339852
Molecular FormulaC13H25FOSi
Molecular Weight244.43 g/mol
Exact Mass244.17
IUPAC Namecis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one
SMILESCC(C)(C)[Si](C)(C)[C@@H]1CCCC[C@H](F)C1=O
InChIInChI=1S/C13H25FOSi/c1-13(2,3)16(4,5)11-9-7-6-8-10(14)12(11)15/h10-11H,6-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyXHHNHCPIZCJPCB-WDEREUQCSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(2R,7R)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one
CID 11746886
(3R,5R)-3-[tert-butyl(dimethyl)silyl]-5-fluoroheptan-4-one
CID 15339846
(4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-fluorononan-5-one
CID 15339848
(3R,5S)-3-[tert-butyl(dimethyl)silyl]-5-fluoroheptan-4-one
CID 15339845
(4R,6S)-4-[tert-butyl(dimethyl)silyl]-6-fluorononan-5-one
CID 15339847
(2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoroheptan-3-one
CID 15522417
(2R)-2-[tert-butyl(dimethyl)silyl]cycloheptan-1-one
CID 10878880
2-Tri(propan-2-yl)silylcycloheptan-1-one
CID 85840171
(3S)-3-[tert-butyl(dimethyl)silyl]heptan-2-one
CID 145856280
3-Trimethylsilylcycloheptan-1-one
CID 12768536
4-Trimethylsilylcycloheptan-1-one
CID 12768537
trans-(2R,7R)-2-[tert-butyl(dimethyl)silyl]-7-iodocycloheptan-1-one
CID 15355398

Frequently Asked Questions

What is the IUPAC name of cis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one?
The IUPAC name of cis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one (CID 15339852) is cis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one.
What is the SMILES notation for cis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one?
The canonical SMILES for cis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one is CC(C)(C)[Si](C)(C)[C@@H]1CCCC[C@H](F)C1=O.
What is the InChIKey of cis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one?
The InChIKey is XHHNHCPIZCJPCB-WDEREUQCSA-N. The full InChI is InChI=1S/C13H25FOSi/c1-13(2,3)16(4,5)11-9-7-6-8-10(14)12(11)15/h10-11H,6-9H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of cis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one?
cis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one has a molecular weight of 244.43 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,7S)-2-[tert-butyl(dimethyl)silyl]-7-fluorocycloheptan-1-one is sourced from PubChem (CID 15339852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).