(2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one

C11H23FOSi — CID 15522414

IUPAC(2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one
SMILESC[C@H](F)C(=O)[C@@H](C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23FOSi/c1-8(12)10(13)9(2)14(6,7)11(3,4)5/h8-9H,1-7H3/t8-,9+/m0/s1
InChIKeyYXKNUYLUYXCZTA-DTWKUNHWSA-N
MW218.39 g/mol
LogP3.81
Rot. Bonds3

About (2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one

(2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one (PubChem CID 15522414) has the molecular formula C11H23FOSi and a molecular weight of 218.39 g/mol. Its IUPAC name is (2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one.

Molecular Properties

Compound Name(2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one
PubChem CID15522414
Molecular FormulaC11H23FOSi
Molecular Weight218.39 g/mol
Exact Mass218.15
IUPAC Name(2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one
SMILESC[C@H](F)C(=O)[C@@H](C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23FOSi/c1-8(12)10(13)9(2)14(6,7)11(3,4)5/h8-9H,1-7H3/t8-,9+/m0/s1
InChIKeyYXKNUYLUYXCZTA-DTWKUNHWSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 53.81
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 (2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one?
The IUPAC name of (2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one (CID 15522414) is (2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one.
What is the SMILES notation for (2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one?
The canonical SMILES for (2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one is C[C@H](F)C(=O)[C@@H](C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one?
The InChIKey is YXKNUYLUYXCZTA-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H23FOSi/c1-8(12)10(13)9(2)14(6,7)11(3,4)5/h8-9H,1-7H3/t8-,9+/m0/s1.
What are the key properties of (2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one?
(2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one has a molecular weight of 218.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one is sourced from PubChem (CID 15522414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).