2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H22BFO2 — CID 171110100

IUPAC2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC#CC(CC=C(F)B1OC(C)(C)C(C)(C)O1)C1CC1
InChIInChI=1S/C15H22BFO2/c1-6-11(12-7-8-12)9-10-13(17)16-18-14(2,3)15(4,5)19-16/h1,10-12H,7-9H2,2-5H3
InChIKeyDPINJNJNGDXRSV-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.52
Rot. Bonds4

About 2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171110100) has the molecular formula C15H22BFO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171110100
Molecular FormulaC15H22BFO2
Molecular Weight264.15 g/mol
Exact Mass264.17
IUPAC Name2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC#CC(CC=C(F)B1OC(C)(C)C(C)(C)O1)C1CC1
InChIInChI=1S/C15H22BFO2/c1-6-11(12-7-8-12)9-10-13(17)16-18-14(2,3)15(4,5)19-16/h1,10-12H,7-9H2,2-5H3
InChIKeyDPINJNJNGDXRSV-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-(1-Fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110015
2-(1-Fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110036
2-[2-(2-Ethylcyclopropyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110094
2-[1-Fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110099
2-(1-Fluoro-4-methylhex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110111
2-(3,3-Dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110331
2-[2-(1-Ethynylcyclopropyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110346
2-(4-Cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110465
2-(1-Fluoro-3,3-dimethylhept-1-en-6-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110473
2-(1-Fluoro-3,3-dimethyloct-1-en-7-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110474
2-(4-Cyclopropyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111875

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171110100) is 2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C#CC(CC=C(F)B1OC(C)(C)C(C)(C)O1)C1CC1.
What is the InChIKey of 2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is DPINJNJNGDXRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BFO2/c1-6-11(12-7-8-12)9-10-13(17)16-18-14(2,3)15(4,5)19-16/h1,10-12H,7-9H2,2-5H3.
What are the key properties of 2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 264.15 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1-fluorohex-1-en-5-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171110100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).