2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H20BFO2 — CID 164530123

IUPAC2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC/C=C(\F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H20BFO2/c1-6-7-8-9(13)12-14-10(2,3)11(4,5)15-12/h8H,6-7H2,1-5H3/b9-8-
InChIKeyHUJZQMGZHPTFBS-HJWRWDBZSA-N
MW214.09 g/mol
LogP3.27
Rot. Bonds3

About 2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 164530123) has the molecular formula C11H20BFO2 and a molecular weight of 214.09 g/mol. Its IUPAC name is 2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID164530123
Molecular FormulaC11H20BFO2
Molecular Weight214.09 g/mol
Exact Mass214.15
IUPAC Name2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC/C=C(\F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H20BFO2/c1-6-7-8-9(13)12-14-10(2,3)11(4,5)15-12/h8H,6-7H2,1-5H3/b9-8-
InChIKeyHUJZQMGZHPTFBS-HJWRWDBZSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 164530123) is 2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC/C=C(\F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is HUJZQMGZHPTFBS-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H20BFO2/c1-6-7-8-9(13)12-14-10(2,3)11(4,5)15-12/h8H,6-7H2,1-5H3/b9-8-.
What are the key properties of 2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 214.09 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 164530123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).