(2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one

C14H29FOSi — CID 15522422

IUPAC(2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one
SMILESCC(C)C[C@@H](F)C(=O)[C@H](C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29FOSi/c1-10(2)9-12(15)13(16)11(3)17(7,8)14(4,5)6/h10-12H,9H2,1-8H3/t11-,12+/m0/s1
InChIKeyDWFSMKYUNDWPTM-NWDGAFQWSA-N
MW260.47 g/mol
LogP4.84
Rot. Bonds5

About (2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one

(2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one (PubChem CID 15522422) has the molecular formula C14H29FOSi and a molecular weight of 260.47 g/mol. Its IUPAC name is (2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one.

Molecular Properties

Compound Name(2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one
PubChem CID15522422
Molecular FormulaC14H29FOSi
Molecular Weight260.47 g/mol
Exact Mass260.20
IUPAC Name(2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one
SMILESCC(C)C[C@@H](F)C(=O)[C@H](C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29FOSi/c1-10(2)9-12(15)13(16)11(3)17(7,8)14(4,5)6/h10-12H,9H2,1-8H3/t11-,12+/m0/s1
InChIKeyDWFSMKYUNDWPTM-NWDGAFQWSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 54.84
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

(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
4-Fluoro-2,6-dimethylheptan-3-one
CID 89691620
5-Methyl-3-(trimethylsilylmethyl)hexan-2-one
CID 12607716
5-Methyl-1-trimethylsilylhexan-3-one
CID 14112751
3-(Trimethylsilylmethyl)heptan-2-one
CID 85613691
1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone
CID 10586423
(2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-5-methylhexan-3-one
CID 15522419
2-Methyl-4-(trimethylsilylmethyl)octan-3-one
CID 14902792

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one?
The IUPAC name of (2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one (CID 15522422) is (2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one.
What is the SMILES notation for (2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one?
The canonical SMILES for (2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one is CC(C)C[C@@H](F)C(=O)[C@H](C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one?
The InChIKey is DWFSMKYUNDWPTM-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H29FOSi/c1-10(2)9-12(15)13(16)11(3)17(7,8)14(4,5)6/h10-12H,9H2,1-8H3/t11-,12+/m0/s1.
What are the key properties of (2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one?
(2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one has a molecular weight of 260.47 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one is sourced from PubChem (CID 15522422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).