2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H28BFO2 — CID 123686437

IUPAC2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC=C(C=C(CF)C(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H28BFO2/c1-8-9-14(10-13(11-18)12(2)3)17-19-15(4,5)16(6,7)20-17/h9-10,12H,8,11H2,1-7H3
InChIKeyBCVURGBTDPNYHR-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.51
Rot. Bonds5

About 2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 123686437) has the molecular formula C16H28BFO2 and a molecular weight of 282.21 g/mol. Its IUPAC name is 2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID123686437
Molecular FormulaC16H28BFO2
Molecular Weight282.21 g/mol
Exact Mass282.22
IUPAC Name2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC=C(C=C(CF)C(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H28BFO2/c1-8-9-14(10-13(11-18)12(2)3)17-19-15(4,5)16(6,7)20-17/h9-10,12H,8,11H2,1-7H3
InChIKeyBCVURGBTDPNYHR-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

Agn-PC-009zql
CID 11482352
4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-en-2-yl]-1,3,2-dioxaborolane
CID 68197276
4,4,5,5-tetramethyl-2-[(Z)-4-methylpent-2-en-2-yl]-1,3,2-dioxaborolane
CID 101902473
2-[[2-(1-Fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123542409
2-(6-Fluoro-2-methylnona-1,3,5-trien-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123749372
2-(5-Fluoro-2-methylhexa-3,5-dien-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123849356
2-(4-Fluoro-9-methylidenecyclonona-1,3-dien-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 124026820
2-[(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-trien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 144708395
2-(2,5-Difluorocyclohexa-1,5-dien-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 144881480
2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145157403
2-(3-Fluorocyclopenta-2,4-dien-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155717997
2-[(Z,1Z)-1-(4-fluoro-5,6-dimethylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164534919

Frequently Asked Questions

What is the IUPAC name of 2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 123686437) is 2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC=C(C=C(CF)C(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is BCVURGBTDPNYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BFO2/c1-8-9-14(10-13(11-18)12(2)3)17-19-15(4,5)16(6,7)20-17/h9-10,12H,8,11H2,1-7H3.
What are the key properties of 2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 282.21 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 123686437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).