methyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate

C11H19FO3Si — CID 10879419

IUPACmethyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC=C(F)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C11H19FO3Si/c1-14-11(13)8-6-5-7-9(12)10(8)15-16(2,3)4/h7-8,10H,5-6H2,1-4H3/t8-,10+/m1/s1
InChIKeyWBOYEZKZJIINQK-SCZZXKLOSA-N
MW246.35 g/mol
LogP2.64
Rot. Bonds3

About methyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate

methyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 10879419) has the molecular formula C11H19FO3Si and a molecular weight of 246.35 g/mol. Its IUPAC name is methyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID10879419
Molecular FormulaC11H19FO3Si
Molecular Weight246.35 g/mol
Exact Mass246.11
IUPAC Namemethyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC=C(F)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C11H19FO3Si/c1-14-11(13)8-6-5-7-9(12)10(8)15-16(2,3)4/h7-8,10H,5-6H2,1-4H3/t8-,10+/m1/s1
InChIKeyWBOYEZKZJIINQK-SCZZXKLOSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,3aS,7R,7aS)-3-methyl-7-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 101603758
methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 102515896
methyl (1S,2R,5R)-2-acetyloxy-5-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 134889758
methyl (1R,2R)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134979475
methyl (1R,2R)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134980044
methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134991352
(3S,3aR,7R,7aR)-3-methyl-7-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 134992231
methyl (1S,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 11107643
Dimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 22467099
methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 58682011
methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 91416422
methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate
CID 171461762

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 10879419) is methyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate is COC(=O)[C@@H]1CCC=C(F)[C@H]1O[Si](C)(C)C.
What is the InChIKey of methyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is WBOYEZKZJIINQK-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H19FO3Si/c1-14-11(13)8-6-5-7-9(12)10(8)15-16(2,3)4/h7-8,10H,5-6H2,1-4H3/t8-,10+/m1/s1.
What are the key properties of methyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
methyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 246.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S)-3-fluoro-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 10879419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).