2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H28BFO2 — CID 171112102

IUPAC2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1CC(=C(F)B2OC(C)(C)C(C)(C)O2)CC(C)(C)C1
InChIInChI=1S/C16H28BFO2/c1-11-8-12(10-14(2,3)9-11)13(18)17-19-15(4,5)16(6,7)20-17/h11H,8-10H2,1-7H3
InChIKeyRUBHJMXPEUMHAW-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.69
Rot. Bonds1

About 2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171112102) has the molecular formula C16H28BFO2 and a molecular weight of 282.21 g/mol. Its IUPAC name is 2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171112102
Molecular FormulaC16H28BFO2
Molecular Weight282.21 g/mol
Exact Mass282.22
IUPAC Name2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1CC(=C(F)B2OC(C)(C)C(C)(C)O2)CC(C)(C)C1
InChIInChI=1S/C16H28BFO2/c1-11-8-12(10-14(2,3)9-11)13(18)17-19-15(4,5)16(6,7)20-17/h11H,8-10H2,1-7H3
InChIKeyRUBHJMXPEUMHAW-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

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
2-[(4-Tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164643528
2-(3-Cyclohexyl-1-fluoro-3-methylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110457
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-[Fluoro-(2-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112065
2-[Fluoro-(4-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112070
2-[Fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112072
2-(2-Cyclohexyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112096
2-[(4-Tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112111

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171112102) is 2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1CC(=C(F)B2OC(C)(C)C(C)(C)O2)CC(C)(C)C1.
What is the InChIKey of 2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is RUBHJMXPEUMHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BFO2/c1-11-8-12(10-14(2,3)9-11)13(18)17-19-15(4,5)16(6,7)20-17/h11H,8-10H2,1-7H3.
What are the key properties of 2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 282.21 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171112102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).