2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H26BFO2 — CID 123542409

IUPAC2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)C(F)=C1CCCC1=CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H26BFO2/c1-11(2)14(18)13-9-7-8-12(13)10-17-19-15(3,4)16(5,6)20-17/h10-11H,7-9H2,1-6H3
InChIKeyDLJSLUNPPUUGGL-UHFFFAOYSA-N
MW280.19 g/mol
LogP4.61
Rot. Bonds2

About 2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 123542409) has the molecular formula C16H26BFO2 and a molecular weight of 280.19 g/mol. Its IUPAC name is 2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID123542409
Molecular FormulaC16H26BFO2
Molecular Weight280.19 g/mol
Exact Mass280.20
IUPAC Name2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)C(F)=C1CCCC1=CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H26BFO2/c1-11(2)14(18)13-9-7-8-12(13)10-17-19-15(3,4)16(5,6)20-17/h10-11H,7-9H2,1-6H3
InChIKeyDLJSLUNPPUUGGL-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

Agn-PC-009zql
CID 11482352
2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123617833
2-[6-(Fluoromethyl)-7-methylocta-3,5-dien-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123686437
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-(4-Fluorocyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 151158300
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
2-[(E,5E)-5-(fluoromethylidene)oct-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171626837
2-(6-Fluoro-4-methylidenecyclohepta-1,6-dien-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 173742023
2-(4,7-Difluoro-6-methylidenecyclohepta-1,3-dien-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174000542

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 123542409) is 2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)C(F)=C1CCCC1=CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is DLJSLUNPPUUGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BFO2/c1-11(2)14(18)13-9-7-8-12(13)10-17-19-15(3,4)16(5,6)20-17/h10-11H,7-9H2,1-6H3.
What are the key properties of 2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 280.19 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 123542409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).