2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H26BFO2 — CID 171111874

IUPAC2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=CCCC2CCCC2)OC1(C)C
InChIInChI=1S/C15H26BFO2/c1-14(2)15(3,4)19-16(18-14)13(17)11-7-10-12-8-5-6-9-12/h11-12H,5-10H2,1-4H3
InChIKeyYGCDINGMYJHHIV-UHFFFAOYSA-N
MW268.18 g/mol
LogP4.44
Rot. Bonds4

About 2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171111874) has the molecular formula C15H26BFO2 and a molecular weight of 268.18 g/mol. Its IUPAC name is 2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171111874
Molecular FormulaC15H26BFO2
Molecular Weight268.18 g/mol
Exact Mass268.20
IUPAC Name2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=CCCC2CCCC2)OC1(C)C
InChIInChI=1S/C15H26BFO2/c1-14(2)15(3,4)19-16(18-14)13(17)11-7-10-12-8-5-6-9-12/h11-12H,5-10H2,1-4H3
InChIKeyYGCDINGMYJHHIV-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 54.44
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

2-(1-Cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90093321
2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177469361
(Z)-2-(2-Cyclopentylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10059394
2-(2-Cyclopentylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11831016
2-[2-(3,3-Difluorocyclopentyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165471394
2-(3-Ethyl-1,6,6,6-tetrafluorohex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109942
2-[1-Fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109957
2-(1-Fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110015
2-[2-(4,4-Difluorocyclohexyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110034
2-(1-Fluoro-4-methylhept-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110036
2-[2-(2-Ethylcyclopropyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110094
2-(3-Cyclopentyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110322

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171111874) is 2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C(F)=CCCC2CCCC2)OC1(C)C.
What is the InChIKey of 2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is YGCDINGMYJHHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BFO2/c1-14(2)15(3,4)19-16(18-14)13(17)11-7-10-12-8-5-6-9-12/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 268.18 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171111874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).