3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate

C9H13FO2Si — CID 149346214

IUPAC3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCC#C[Si](C)(C)C
InChIInChI=1S/C9H13FO2Si/c1-8(10)9(11)12-6-5-7-13(2,3)4/h1,6H2,2-4H3
InChIKeyYFCYTJJEURJMHK-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.89
Rot. Bonds2

About 3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate

3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate (PubChem CID 149346214) has the molecular formula C9H13FO2Si and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate
PubChem CID149346214
Molecular FormulaC9H13FO2Si
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCC#C[Si](C)(C)C
InChIInChI=1S/C9H13FO2Si/c1-8(10)9(11)12-6-5-7-13(2,3)4/h1,6H2,2-4H3
InChIKeyYFCYTJJEURJMHK-UHFFFAOYSA-N
XLogP1.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethylsilylmethyl 2-fluoroprop-2-enoate
CID 71339155
(Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium
CID 10912080
1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate
CID 73084435
CID 175995571
CID 175995571
(2-methylidene-5-trimethylsilylpent-4-ynyl) acetate
CID 125486342
3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate
CID 102323358
tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate
CID 11276581
3-trimethylsilylprop-2-ynyl 6-chloropyridazine-3-carboxylate
CID 174073203
3-trimethylsilylprop-2-ynyl 2-[2-(4-bromophenyl)ethenylidene]pentanoate
CID 102323359
4-carbonofluoridoyloxybut-2-ynyl carbonofluoridate
CID 126736848
prop-2-ynyl 2-trimethylsilylprop-2-enoate
CID 166451708
5-trimethylsilylpent-4-yn-2-one
CID 12685334

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate?
The IUPAC name of 3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate (CID 149346214) is 3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate.
What is the SMILES notation for 3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate?
The canonical SMILES for 3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate is C=C(F)C(=O)OCC#C[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate?
The InChIKey is YFCYTJJEURJMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO2Si/c1-8(10)9(11)12-6-5-7-13(2,3)4/h1,6H2,2-4H3.
What are the key properties of 3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate?
3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate is sourced from PubChem (CID 149346214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).