2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H27BF2O2 — CID 177421331

IUPAC2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCC[C@H](C=C(F)F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H27BF2O2/c1-6-7-8-9-10-12(11-13(17)18)16-19-14(2,3)15(4,5)20-16/h11-12H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyJLEKXRBSXGRXOA-GFCCVEGCSA-N
MW288.19 g/mol
LogP5.20
Rot. Bonds7

About 2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 177421331) has the molecular formula C15H27BF2O2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID177421331
Molecular FormulaC15H27BF2O2
Molecular Weight288.19 g/mol
Exact Mass288.21
IUPAC Name2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCC[C@H](C=C(F)F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H27BF2O2/c1-6-7-8-9-10-12(11-13(17)18)16-19-14(2,3)15(4,5)20-16/h11-12H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyJLEKXRBSXGRXOA-GFCCVEGCSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.19
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177469361
(E)-4,4,5,5-Tetramethyl-2-(non-1-en-1-yl)-1,3,2-dioxaborolane
CID 101353698
1,1-Difluoro-2-nonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1-propene
CID 132571070
2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164530123
2-(4,4-Difluorocyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170757656
2-(5,5-Difluorocyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176216371
4,4,5,5-tetramethyl-2-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooct-1-enyl]-1,3,2-dioxaborolane
CID 102482098
2-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102482100
2-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluoro-1-iodododec-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102482103
(4,4-Difluorocyclohexen-1-yl)methylboronic acid pinacol ester
CID 125180256
2-[(1Z)-5,5-difluorocycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 133621796
4,4,5,5-Tetramethyl-2-(1,6,6,6-tetrafluoro-3-methylhex-1-enyl)-1,3,2-dioxaborolane
CID 171109941

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 177421331) is 2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCCCC[C@H](C=C(F)F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is JLEKXRBSXGRXOA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27BF2O2/c1-6-7-8-9-10-12(11-13(17)18)16-19-14(2,3)15(4,5)20-16/h11-12H,6-10H2,1-5H3/t12-/m1/s1.
What are the key properties of 2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 288.19 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 177421331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).