4-[fluoro(dimethyl)silyl]butyl but-2-enoate

C10H19FO2Si — CID 174106106

IUPAC4-[fluoro(dimethyl)silyl]butyl but-2-enoate
SMILESCC=CC(=O)OCCCC[Si](C)(C)F
InChIInChI=1S/C10H19FO2Si/c1-4-7-10(12)13-8-5-6-9-14(2,3)11/h4,7H,5-6,8-9H2,1-3H3
InChIKeyYTZRONOFQIHISA-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.06
Rot. Bonds6

About 4-[fluoro(dimethyl)silyl]butyl but-2-enoate

4-[fluoro(dimethyl)silyl]butyl but-2-enoate (PubChem CID 174106106) has the molecular formula C10H19FO2Si and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[fluoro(dimethyl)silyl]butyl but-2-enoate.

Molecular Properties

Compound Name4-[fluoro(dimethyl)silyl]butyl but-2-enoate
PubChem CID174106106
Molecular FormulaC10H19FO2Si
Molecular Weight218.34 g/mol
Exact Mass218.11
IUPAC Name4-[fluoro(dimethyl)silyl]butyl but-2-enoate
SMILESCC=CC(=O)OCCCC[Si](C)(C)F
InChIInChI=1S/C10H19FO2Si/c1-4-7-10(12)13-8-5-6-9-14(2,3)11/h4,7H,5-6,8-9H2,1-3H3
InChIKeyYTZRONOFQIHISA-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
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'}

Analyze 4-[fluoro(dimethyl)silyl]butyl but-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-trifluorosilylbutyl but-2-enoate
CID 174106149
5-[chloro(dimethyl)silyl]pentyl but-2-enoate
CID 174106073
19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate
CID 174106044
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
7-trichlorosilylheptyl but-2-enoate
CID 174106010
13-trichlorosilyltridecyl but-2-enoate
CID 174106076
9-trichlorosilylnonyl but-2-enoate
CID 174105776
14-trichlorosilyltetradecyl but-2-enoate
CID 174106042
8-trichlorosilyloctyl but-2-enoate
CID 174105922
9-tri(propan-2-yloxy)silylnonyl but-2-enoate
CID 174208897
dodecyl (E)-but-2-enoate
CID 5462914
3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
CID 57318763

Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(dimethyl)silyl]butyl but-2-enoate?
The IUPAC name of 4-[fluoro(dimethyl)silyl]butyl but-2-enoate (CID 174106106) is 4-[fluoro(dimethyl)silyl]butyl but-2-enoate.
What is the SMILES notation for 4-[fluoro(dimethyl)silyl]butyl but-2-enoate?
The canonical SMILES for 4-[fluoro(dimethyl)silyl]butyl but-2-enoate is CC=CC(=O)OCCCC[Si](C)(C)F.
What is the InChIKey of 4-[fluoro(dimethyl)silyl]butyl but-2-enoate?
The InChIKey is YTZRONOFQIHISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2Si/c1-4-7-10(12)13-8-5-6-9-14(2,3)11/h4,7H,5-6,8-9H2,1-3H3.
What are the key properties of 4-[fluoro(dimethyl)silyl]butyl but-2-enoate?
4-[fluoro(dimethyl)silyl]butyl but-2-enoate has a molecular weight of 218.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(dimethyl)silyl]butyl but-2-enoate is sourced from PubChem (CID 174106106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).