2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H26BFO2 — CID 171626837

IUPAC2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC(/C=C/C(C)B1OC(C)(C)C(C)(C)O1)=C\F
InChIInChI=1S/C15H26BFO2/c1-7-8-13(11-17)10-9-12(2)16-18-14(3,4)15(5,6)19-16/h9-12H,7-8H2,1-6H3/b10-9+,13-11+
InChIKeyGNSCAEGITSMVGG-SNMPHBPQSA-N
MW268.18 g/mol
LogP4.68
Rot. Bonds5

About 2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171626837) has the molecular formula C15H26BFO2 and a molecular weight of 268.18 g/mol. Its IUPAC name is 2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171626837
Molecular FormulaC15H26BFO2
Molecular Weight268.18 g/mol
Exact Mass268.20
IUPAC Name2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC(/C=C/C(C)B1OC(C)(C)C(C)(C)O1)=C\F
InChIInChI=1S/C15H26BFO2/c1-7-8-13(11-17)10-9-12(2)16-18-14(3,4)15(5,6)19-16/h9-12H,7-8H2,1-6H3/b10-9+,13-11+
InChIKeyGNSCAEGITSMVGG-SNMPHBPQSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopenta-1,3-dien-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 13828422
(E)-2-(2-(cyclohex-1-en-1-yl)vinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11310851
Agn-PC-009zql
CID 11482352
2-(2-Cyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486612
2-(4,4-Dimethylcyclohexa-1,5-dien-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 44119647
2-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57416217
Cyclopent-3-EN-1-ylboronic acid pinacol ester
CID 58414455
2-[(E)-hept-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66886420
2-Cyclopenta-1,4-dien-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 68032199
2-[(E)-hex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90322736
2-(4,4-Difluoro-2-methylcyclohexa-1,5-dien-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 67460385
2-(3-Fluorocyclohexa-2,4-dien-1-yl)-4,4,5-trimethyl-1,3,2-dioxaborolane
CID 71003420

Frequently Asked Questions

What is the IUPAC name of 2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171626837) is 2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCC(/C=C/C(C)B1OC(C)(C)C(C)(C)O1)=C\F.
What is the InChIKey of 2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is GNSCAEGITSMVGG-SNMPHBPQSA-N. The full InChI is InChI=1S/C15H26BFO2/c1-7-8-13(11-17)10-9-12(2)16-18-14(3,4)15(5,6)19-16/h9-12H,7-8H2,1-6H3/b10-9+,13-11+.
What are the key properties of 2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 268.18 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171626837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).