2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H28BFO2 — CID 171110466

IUPAC2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)CC1CCC1
InChIInChI=1S/C16H28BFO2/c1-14(2,10-12-8-7-9-12)11-13(18)17-19-15(3,4)16(5,6)20-17/h11-12H,7-10H2,1-6H3
InChIKeyDCBBZDASXHWOQD-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.69
Rot. Bonds4

About 2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171110466) has the molecular formula C16H28BFO2 and a molecular weight of 282.21 g/mol. Its IUPAC name is 2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171110466
Molecular FormulaC16H28BFO2
Molecular Weight282.21 g/mol
Exact Mass282.22
IUPAC Name2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)CC1CCC1
InChIInChI=1S/C16H28BFO2/c1-14(2,10-12-8-7-9-12)11-13(18)17-19-15(3,4)16(5,6)20-17/h11-12H,7-10H2,1-6H3
InChIKeyDCBBZDASXHWOQD-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-Tetramethyl-2-[1-(spiro[3.5]nonan-2-yl)vinyl]-1,3,2-dioxaborolane
CID 138981013
2-[1-(3,3-Dipropylcyclobutyl)vinyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138981016
2-[2-[3-(Difluoromethyl)-3-methylcyclobutyl]-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110013
2-(1-Fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110015
2-(1-Fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110036
2-[1-Fluoro-2-[1-(2-fluoroethyl)cyclobutyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110047
2-[2-[1-(2,2-Difluoroethyl)cyclobutyl]-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110048
2-[2-[1-(2,2-Difluoroethyl)-3,3-difluorocyclobutyl]-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110049
2-[2-(1-Ethyl-3,3-difluorocyclobutyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110050
2-(1-Fluoro-3,3-dimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110432
2-(1-Fluoro-3,3,5-trimethylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110433
2-(1-Fluoro-3,3,6-trimethylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110434

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171110466) is 2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)CC1CCC1.
What is the InChIKey of 2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is DCBBZDASXHWOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BFO2/c1-14(2,10-12-8-7-9-12)11-13(18)17-19-15(3,4)16(5,6)20-17/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 282.21 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171110466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).