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

C16H28BFO2 — CID 171114426

IUPAC2-[fluoro-(2-propan-2-ylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)C1CCCCC1=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H28BFO2/c1-11(2)12-9-7-8-10-13(12)14(18)17-19-15(3,4)16(5,6)20-17/h11-12H,7-10H2,1-6H3
InChIKeyMEZNWOFASNTNLM-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.69
Rot. Bonds2

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

2-[fluoro-(2-propan-2-ylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171114426) has the molecular formula C16H28BFO2 and a molecular weight of 282.21 g/mol. Its IUPAC name is 2-[fluoro-(2-propan-2-ylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[fluoro-(2-propan-2-ylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171114426
Molecular FormulaC16H28BFO2
Molecular Weight282.21 g/mol
Exact Mass282.22
IUPAC Name2-[fluoro-(2-propan-2-ylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)C1CCCCC1=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H28BFO2/c1-11(2)12-9-7-8-10-13(12)14(18)17-19-15(3,4)16(5,6)20-17/h11-12H,7-10H2,1-6H3
InChIKeyMEZNWOFASNTNLM-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-[(2-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane
CID 145874424
4,4,5,5-Tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane
CID 164643643
2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177469361
2-((1E)-2-Cyclohexyl-1-propen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138979210
2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102483612
2-[(4-Tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164643528
4,4,5,5-Tetramethyl-2-[[4-(trifluoromethyl)cyclohexylidene]methyl]-1,3,2-dioxaborolane
CID 133619886
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-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-(2-Cyclohexyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111282

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(2-propan-2-ylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[fluoro-(2-propan-2-ylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171114426) is 2-[fluoro-(2-propan-2-ylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[fluoro-(2-propan-2-ylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[fluoro-(2-propan-2-ylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)C1CCCCC1=C(F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[fluoro-(2-propan-2-ylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is MEZNWOFASNTNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BFO2/c1-11(2)12-9-7-8-10-13(12)14(18)17-19-15(3,4)16(5,6)20-17/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-[fluoro-(2-propan-2-ylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[fluoro-(2-propan-2-ylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 282.21 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(2-propan-2-ylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171114426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).