2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H24BFO2 — CID 171113828

IUPAC2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=C2CCCC3(CC3)C2)OC1(C)C
InChIInChI=1S/C15H24BFO2/c1-13(2)14(3,4)19-16(18-13)12(17)11-6-5-7-15(10-11)8-9-15/h5-10H2,1-4H3
InChIKeyXRKIAFCESCSKTN-UHFFFAOYSA-N
MW266.16 g/mol
LogP4.20
Rot. Bonds1

About 2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171113828) has the molecular formula C15H24BFO2 and a molecular weight of 266.16 g/mol. Its IUPAC name is 2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171113828
Molecular FormulaC15H24BFO2
Molecular Weight266.16 g/mol
Exact Mass266.19
IUPAC Name2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=C2CCCC3(CC3)C2)OC1(C)C
InChIInChI=1S/C15H24BFO2/c1-13(2)14(3,4)19-16(18-13)12(17)11-6-5-7-15(10-11)8-9-15/h5-10H2,1-4H3
InChIKeyXRKIAFCESCSKTN-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2-Dimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145874631
4,4,5,5-Tetramethyl-2-({spiro[2.5]octan-6-ylidene}methyl)-1,3,2-dioxaborolane
CID 155982298
2-{[(1z)-3,3-Dimethylcyclohexylidene]methyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168447877
2-(3-Cyclohexyl-1-fluoro-3-methylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110457
2-(1-Fluoro-2-spiro[2.5]octan-6-ylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111892
2-[Fluoro-(2-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112065
2-[Fluoro-(4-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112070
2-[Fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112072
2-(2-Cyclohexyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112096
2-[Fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112102
2-[(4-Tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112111
2-[(2,2-Difluorospiro[2.5]octan-6-ylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112353

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171113828) is 2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C(F)=C2CCCC3(CC3)C2)OC1(C)C.
What is the InChIKey of 2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is XRKIAFCESCSKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BFO2/c1-13(2)14(3,4)19-16(18-13)12(17)11-6-5-7-15(10-11)8-9-15/h5-10H2,1-4H3.
What are the key properties of 2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.16 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(spiro[2.5]octan-7-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171113828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).