2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H30BFO2 — CID 171112111

IUPAC2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C)C1CCC(=C(F)B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C17H30BFO2/c1-15(2,3)13-10-8-12(9-11-13)14(19)18-20-16(4,5)17(6,7)21-18/h13H,8-11H2,1-7H3/b14-12-
InChIKeyMYIADZLHZYOSBR-OWBHPGMISA-N
MW296.24 g/mol
LogP5.08
Rot. Bonds1

About 2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171112111) has the molecular formula C17H30BFO2 and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171112111
Molecular FormulaC17H30BFO2
Molecular Weight296.24 g/mol
Exact Mass296.23
IUPAC Name2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C)C1CCC(=C(F)B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C17H30BFO2/c1-15(2,3)13-10-8-12(9-11-13)14(19)18-20-16(4,5)17(6,7)21-18/h13H,8-11H2,1-7H3/b14-12-
InChIKeyMYIADZLHZYOSBR-OWBHPGMISA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.24
LogP ≤ 55.08
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-[(2,2-Dimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145874631
2-{[(1z)-3,3-Dimethylcyclohexylidene]methyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168447877
2-[2-(3,7-Dimethyl-1-bicyclo[3.3.1]nonanyl)-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142279602
4,4,5,5-Tetramethyl-2-[1-(spiro[3.5]nonan-2-yl)vinyl]-1,3,2-dioxaborolane
CID 138981013
2-[(4-Tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164643528
2-[1-Fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109957
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
2-(1-Fluoro-2-spiro[2.5]octan-6-ylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111892
2-[Fluoro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112000

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171112111) is 2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)(C)C1CCC(=C(F)B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is MYIADZLHZYOSBR-OWBHPGMISA-N. The full InChI is InChI=1S/C17H30BFO2/c1-15(2,3)13-10-8-12(9-11-13)14(19)18-20-16(4,5)17(6,7)21-18/h13H,8-11H2,1-7H3/b14-12-.
What are the key properties of 2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 296.24 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171112111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).