2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C20H34BFO2 — CID 171114202

IUPAC2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=C2CCC(CC3CCCCC3)CC2)OC1(C)C
InChIInChI=1S/C20H34BFO2/c1-19(2)20(3,4)24-21(23-19)18(22)17-12-10-16(11-13-17)14-15-8-6-5-7-9-15/h15-16H,5-14H2,1-4H3/b18-17-
InChIKeyRFFZFSJCLZYDKI-ZCXUNETKSA-N
MW336.30 g/mol
LogP6.00
Rot. Bonds3

About 2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171114202) has the molecular formula C20H34BFO2 and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171114202
Molecular FormulaC20H34BFO2
Molecular Weight336.30 g/mol
Exact Mass336.26
IUPAC Name2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=C2CCC(CC3CCCCC3)CC2)OC1(C)C
InChIInChI=1S/C20H34BFO2/c1-19(2)20(3,4)24-21(23-19)18(22)17-12-10-16(11-13-17)14-15-8-6-5-7-9-15/h15-16H,5-14H2,1-4H3/b18-17-
InChIKeyRFFZFSJCLZYDKI-ZCXUNETKSA-N
XLogP6.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.30
LogP ≤ 56.00
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-(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-[1-Fluoro-2-(4-propan-2-ylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109957
2-(4-Cyclohexyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110471
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-Adamantylidene(fluoro)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112088
2-(2-Cyclohexyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112096
2-[Fluoro-(3,3,5-trimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112102
2-[(4-Tert-butylcyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112111
2-[(3-Cyclohexylcyclobutylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112648
2-[Fluoro-[4-(3,3,3-trifluoropropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112739

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171114202) is 2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C(F)=C2CCC(CC3CCCCC3)CC2)OC1(C)C.
What is the InChIKey of 2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is RFFZFSJCLZYDKI-ZCXUNETKSA-N. The full InChI is InChI=1S/C20H34BFO2/c1-19(2)20(3,4)24-21(23-19)18(22)17-12-10-16(11-13-17)14-15-8-6-5-7-9-15/h15-16H,5-14H2,1-4H3/b18-17-.
What are the key properties of 2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 336.30 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexylmethyl)cyclohexylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171114202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).