2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H23BF2O2 — CID 175968303

IUPAC2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC3(CC2)CC(F)(F)C3)OC1(C)C
InChIInChI=1S/C15H23BF2O2/c1-12(2)13(3,4)20-16(19-12)11-5-7-14(8-6-11)9-15(17,18)10-14/h5H,6-10H2,1-4H3
InChIKeyPTIGJGGTNZVUPY-UHFFFAOYSA-N
MW284.15 g/mol
LogP4.14
Rot. Bonds1

About 2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 175968303) has the molecular formula C15H23BF2O2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID175968303
Molecular FormulaC15H23BF2O2
Molecular Weight284.15 g/mol
Exact Mass284.18
IUPAC Name2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC3(CC2)CC(F)(F)C3)OC1(C)C
InChIInChI=1S/C15H23BF2O2/c1-12(2)13(3,4)20-16(19-12)11-5-7-14(8-6-11)9-15(17,18)10-14/h5H,6-10H2,1-4H3
InChIKeyPTIGJGGTNZVUPY-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 54.14
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

4,4,5,5-tetramethyl-2-(2-oxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
CID 131289331
4-methyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-oxa-4-azaspiro[5.5]undec-9-en-3-one
CID 176864516
1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-ol
CID 142308201
2-(1,1-dimethyl-2-oxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90456155
2-[4,4-bis(methoxymethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146744078
4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane
CID 140813860
2-[4-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154608288
dipropan-2-yl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1,1-dicarboxylate
CID 123641384
5-isocyanofuran-2-carboxylic acid;4,4,5,5-tetramethyl-2-spiro[4.5]dec-8-en-8-yl-1,3,2-dioxaborolane
CID 161471985
2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486609
tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azaspiro[3.5]non-6-ene-1-carboxylate
CID 155894590
4,4,5,5-tetramethyl-2-[(4S)-4-methylcyclohexen-1-yl]-1,3,2-dioxaborolane
CID 99773842

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 175968303) is 2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2=CCC3(CC2)CC(F)(F)C3)OC1(C)C.
What is the InChIKey of 2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is PTIGJGGTNZVUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BF2O2/c1-12(2)13(3,4)20-16(19-12)11-5-7-14(8-6-11)9-15(17,18)10-14/h5H,6-10H2,1-4H3.
What are the key properties of 2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 284.15 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 175968303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).