2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H30BFO2 — CID 171109957

IUPAC2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)C1CCC(C=C(F)B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C17H30BFO2/c1-12(2)14-9-7-13(8-10-14)11-15(19)18-20-16(3,4)17(5,6)21-18/h11-14H,7-10H2,1-6H3
InChIKeyUOINICXAABKLFU-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.93
Rot. Bonds3

About 2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171109957) has the molecular formula C17H30BFO2 and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171109957
Molecular FormulaC17H30BFO2
Molecular Weight296.24 g/mol
Exact Mass296.23
IUPAC Name2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)C1CCC(C=C(F)B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C17H30BFO2/c1-12(2)14-9-7-13(8-10-14)11-15(19)18-20-16(3,4)17(5,6)21-18/h11-14H,7-10H2,1-6H3
InChIKeyUOINICXAABKLFU-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 54.93
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-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177469361
2-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153542019
4,4,5,5-Tetramethyl-2-((E)-2-((1r,4r)-4-(trifluoromethyl)cyclohexyl)vinyl)-1,3,2-dioxaborolane
CID 156741241
2-((1s,3s)-1-Cyclohexyl-3-vinylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134821151
4,4,5,5-Tetramethyl-2-(4'-(trifluoromethyl)-[1,1'-bi(cyclohexan)]-3-en-4-yl)-1,3,2-dioxaborolane
CID 170901596
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-(3-Cyclohexyl-1-fluoro-3-methylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110457
2-(4-Cyclopentyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110467
2-(4-Cyclohexyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110471
2-[3-(3,3-Dimethylcyclohexyl)-1-fluoroprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110496

Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171109957) is 2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)C1CCC(C=C(F)B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is UOINICXAABKLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BFO2/c1-12(2)14-9-7-13(8-10-14)11-15(19)18-20-16(3,4)17(5,6)21-18/h11-14H,7-10H2,1-6H3.
What are the key properties of 2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 296.24 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171109957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).