2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H23BF2O2 — CID 171109995

IUPAC2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)CCF
InChIInChI=1S/C13H23BF2O2/c1-11(2,7-8-15)9-10(16)14-17-12(3,4)13(5,6)18-14/h9H,7-8H2,1-6H3
InChIKeyZLMNIZYMOKGVLS-UHFFFAOYSA-N
MW260.13 g/mol
LogP3.86
Rot. Bonds4

About 2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171109995) has the molecular formula C13H23BF2O2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171109995
Molecular FormulaC13H23BF2O2
Molecular Weight260.13 g/mol
Exact Mass260.18
IUPAC Name2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)CCF
InChIInChI=1S/C13H23BF2O2/c1-11(2,7-8-15)9-10(16)14-17-12(3,4)13(5,6)18-14/h9H,7-8H2,1-6H3
InChIKeyZLMNIZYMOKGVLS-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-[(1E)-4,4-dimethylpent-1-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132597985
2-(4,4-Dimethylpent-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165999832
4,4,5,5-Tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane
CID 145199862
2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164530123
2-(3,3-Dimethylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101146654
2-(2,2-Dimethylpent-4-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162407278
2-[2-(1-Fluorocyclopropyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165465476
(Z)-4,4,5,5-Tetramethyl-2-(1,4,4,4-tetrafluorobut-1-en-1-yl)-1,3,2-dioxaborolane
CID 170903402
2-(2-Cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109674
2-[2-(2,2-Difluoro-1-methylcyclopropyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109903
4,4,5,5-Tetramethyl-2-(1,6,6,6-tetrafluoro-3,3-dimethylhex-1-enyl)-1,3,2-dioxaborolane
CID 171110003
2-[2-[3-(Difluoromethyl)-3-methylcyclobutyl]-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110013

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171109995) is 2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)CCF.
What is the InChIKey of 2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ZLMNIZYMOKGVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BF2O2/c1-11(2,7-8-15)9-10(16)14-17-12(3,4)13(5,6)18-14/h9H,7-8H2,1-6H3.
What are the key properties of 2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 260.13 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-difluoro-3,3-dimethylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171109995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).