2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H22BFO2 — CID 145157403

IUPAC2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C(F)=C\CCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H22BFO2/c1-10(14)8-6-7-9-13-15-11(2,3)12(4,5)16-13/h8H,6-7,9H2,1-5H3/b10-8+
InChIKeyPKLURTPLQXACRP-CSKARUKUSA-N
MW228.12 g/mol
LogP3.73
Rot. Bonds4

About 2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 145157403) has the molecular formula C12H22BFO2 and a molecular weight of 228.12 g/mol. Its IUPAC name is 2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID145157403
Molecular FormulaC12H22BFO2
Molecular Weight228.12 g/mol
Exact Mass228.17
IUPAC Name2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C(F)=C\CCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H22BFO2/c1-10(14)8-6-7-9-13-15-11(2,3)12(4,5)16-13/h8H,6-7,9H2,1-5H3/b10-8+
InChIKeyPKLURTPLQXACRP-CSKARUKUSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 53.73
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-(Cyclopent-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486611
4,4,5,5-Tetramethyl-2-[(1E)-pent-1-en-1-yl]-1,3,2-dioxaborolane
CID 15211560
2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10932675
1-Cycloheptenylboronic acid pinacol ester
CID 15486609
4,4,5,5-Tetramethyl-2-(pent-1-en-3-yl)-1,3,2-dioxaborolane
CID 11701200
4,4,5,5-tetramethyl-2-((2Z)-pent-2-en-3-yl)-1,3,2-dioxaborolane
CID 58548511
2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59351393
2-(Cyclobut-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 141481602
(Z)-4,4,5,5-tetramethyl-2-(oct-4-en-4-yl)-1,3,2-dioxaborolane
CID 11264894
4,4,5,5-tetramethyl-2-[(E)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 21771552
2-[(Z)-dodec-6-en-6-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 149059896
(Z)-4,4,5,5-tetramethyl-2-(3,4,4,5,5,6,6,6-octafluorohex-2-en-1-yl)-1,3,2-dioxabo-ro-lane
CID 165415753

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 145157403) is 2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C/C(F)=C\CCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is PKLURTPLQXACRP-CSKARUKUSA-N. The full InChI is InChI=1S/C12H22BFO2/c1-10(14)8-6-7-9-13-15-11(2,3)12(4,5)16-13/h8H,6-7,9H2,1-5H3/b10-8+.
What are the key properties of 2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 228.12 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 145157403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).