2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate

C12H23FO3Si — CID 59001147

IUPAC2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)C1CCC(O)C(F)C1
InChIInChI=1S/C12H23FO3Si/c1-17(2,3)7-6-16-12(15)9-4-5-11(14)10(13)8-9/h9-11,14H,4-8H2,1-3H3
InChIKeyXQSSWWWCZMSCKE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.37
Rot. Bonds4

About 2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate

2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate (PubChem CID 59001147) has the molecular formula C12H23FO3Si and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate
PubChem CID59001147
Molecular FormulaC12H23FO3Si
Molecular Weight262.40 g/mol
Exact Mass262.14
IUPAC Name2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)C1CCC(O)C(F)C1
InChIInChI=1S/C12H23FO3Si/c1-17(2,3)7-6-16-12(15)9-4-5-11(14)10(13)8-9/h9-11,14H,4-8H2,1-3H3
InChIKeyXQSSWWWCZMSCKE-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate;2-trimethylsilylethyl 4-fluoro-3-hydroxycyclohexane-1-carboxylate;2-trimethylsilylethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 161115403
2-(trimethyl-λ4-sulfanyl)ethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate
CID 126724013
2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate
CID 59599392
4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate
CID 11087431
ethyl 3,4-dihydroxycyclohexane-1-carboxylate
CID 134861534
ethyl (1S,3R,4S)-4-amino-3-fluorocyclohexane-1-carboxylate
CID 172915911
(1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid
CID 70182808
2-trimethylsilylethyl (2S)-pyrrolidine-2-carboxylate
CID 15338392
ethyl 3,4-difluorocyclopentane-1-carboxylate
CID 155893125
cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate
CID 165351670
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
2-fluoroethyl cyclopropanecarboxylate
CID 130693210

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate (CID 59001147) is 2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate is C[Si](C)(C)CCOC(=O)C1CCC(O)C(F)C1.
What is the InChIKey of 2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate?
The InChIKey is XQSSWWWCZMSCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO3Si/c1-17(2,3)7-6-16-12(15)9-4-5-11(14)10(13)8-9/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate?
2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate has a molecular weight of 262.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 59001147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).