3-trichlorosilylpropyl 2-fluoroprop-2-enoate

C6H8Cl3FO2Si — CID 139621788

IUPAC3-trichlorosilylpropyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C6H8Cl3FO2Si/c1-5(10)6(11)12-3-2-4-13(7,8)9/h1-4H2
InChIKeyVQYQYLUMHOITRH-UHFFFAOYSA-N
MW265.57 g/mol
LogP3.06
Rot. Bonds5

About 3-trichlorosilylpropyl 2-fluoroprop-2-enoate

3-trichlorosilylpropyl 2-fluoroprop-2-enoate (PubChem CID 139621788) has the molecular formula C6H8Cl3FO2Si and a molecular weight of 265.57 g/mol. Its IUPAC name is 3-trichlorosilylpropyl 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name3-trichlorosilylpropyl 2-fluoroprop-2-enoate
PubChem CID139621788
Molecular FormulaC6H8Cl3FO2Si
Molecular Weight265.57 g/mol
Exact Mass263.93
IUPAC Name3-trichlorosilylpropyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C6H8Cl3FO2Si/c1-5(10)6(11)12-3-2-4-13(7,8)9/h1-4H2
InChIKeyVQYQYLUMHOITRH-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.57
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

14-trichlorosilyltetradecyl 2-methylprop-2-enoate
CID 156681386
17-trichlorosilylheptadecyl 2-methylprop-2-enoate
CID 156681417
4-trichlorosilylbutyl prop-2-enoate
CID 54422038
[(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate
CID 171776219
4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate
CID 139796033
7-trichlorosilylheptyl acetate
CID 150460177
11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate
CID 159008307
trimethylsilylmethyl 2-fluoroprop-2-enoate
CID 71339155
3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 11009006
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate
CID 87857692
CID 175995571
CID 175995571
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252

Frequently Asked Questions

What is the IUPAC name of 3-trichlorosilylpropyl 2-fluoroprop-2-enoate?
The IUPAC name of 3-trichlorosilylpropyl 2-fluoroprop-2-enoate (CID 139621788) is 3-trichlorosilylpropyl 2-fluoroprop-2-enoate.
What is the SMILES notation for 3-trichlorosilylpropyl 2-fluoroprop-2-enoate?
The canonical SMILES for 3-trichlorosilylpropyl 2-fluoroprop-2-enoate is C=C(F)C(=O)OCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 3-trichlorosilylpropyl 2-fluoroprop-2-enoate?
The InChIKey is VQYQYLUMHOITRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl3FO2Si/c1-5(10)6(11)12-3-2-4-13(7,8)9/h1-4H2.
What are the key properties of 3-trichlorosilylpropyl 2-fluoroprop-2-enoate?
3-trichlorosilylpropyl 2-fluoroprop-2-enoate has a molecular weight of 265.57 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trichlorosilylpropyl 2-fluoroprop-2-enoate is sourced from PubChem (CID 139621788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).