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

C14H24BFO2 — CID 171112072

IUPAC2-[fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1CCCC(=C(F)B2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C14H24BFO2/c1-10-7-6-8-11(9-10)12(16)15-17-13(2,3)14(4,5)18-15/h10H,6-9H2,1-5H3
InChIKeyRFABATUAZLSJIL-UHFFFAOYSA-N
MW254.15 g/mol
LogP4.05
Rot. Bonds1

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

2-[fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171112072) has the molecular formula C14H24BFO2 and a molecular weight of 254.15 g/mol. Its IUPAC name is 2-[fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171112072
Molecular FormulaC14H24BFO2
Molecular Weight254.15 g/mol
Exact Mass254.19
IUPAC Name2-[fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1CCCC(=C(F)B2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C14H24BFO2/c1-10-7-6-8-11(9-10)12(16)15-17-13(2,3)14(4,5)18-15/h10H,6-9H2,1-5H3
InChIKeyRFABATUAZLSJIL-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171112072) is 2-[fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1CCCC(=C(F)B2OC(C)(C)C(C)(C)O2)C1.
What is the InChIKey of 2-[fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is RFABATUAZLSJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BFO2/c1-10-7-6-8-11(9-10)12(16)15-17-13(2,3)14(4,5)18-15/h10H,6-9H2,1-5H3.
What are the key properties of 2-[fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 254.15 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(3-methylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171112072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).