2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H24BFO2 — CID 144944802

IUPAC2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC/C(=C\CCF)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H24BFO2/c1-6-8-11(9-7-10-15)14-16-12(2,3)13(4,5)17-14/h9H,6-8,10H2,1-5H3/b11-9+
InChIKeyWJKCYOKJESLHPK-PKNBQFBNSA-N
MW242.14 g/mol
LogP3.70
Rot. Bonds5

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

2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 144944802) has the molecular formula C13H24BFO2 and a molecular weight of 242.14 g/mol. Its IUPAC name is 2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID144944802
Molecular FormulaC13H24BFO2
Molecular Weight242.14 g/mol
Exact Mass242.19
IUPAC Name2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC/C(=C\CCF)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H24BFO2/c1-6-8-11(9-7-10-15)14-16-12(2,3)13(4,5)17-14/h9H,6-8,10H2,1-5H3/b11-9+
InChIKeyWJKCYOKJESLHPK-PKNBQFBNSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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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-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 144944802) is 2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC/C(=C\CCF)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is WJKCYOKJESLHPK-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H24BFO2/c1-6-8-11(9-7-10-15)14-16-12(2,3)13(4,5)17-14/h9H,6-8,10H2,1-5H3/b11-9+.
What are the key properties of 2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 242.14 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-fluorohept-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 144944802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).