2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H24BFO2 — CID 90092853

IUPAC2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(CF)CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C14H24BFO2/c1-12(2)13(3,4)18-15(17-12)11-6-8-14(5,10-16)9-7-11/h6H,7-10H2,1-5H3
InChIKeyCYLVSFIEUUHGBZ-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.70
Rot. Bonds2

About 2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 90092853) has the molecular formula C14H24BFO2 and a molecular weight of 254.15 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID90092853
Molecular FormulaC14H24BFO2
Molecular Weight254.15 g/mol
Exact Mass254.19
IUPAC Name2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(CF)CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C14H24BFO2/c1-12(2)13(3,4)18-15(17-12)11-6-8-14(5,10-16)9-7-11/h6H,7-10H2,1-5H3
InChIKeyCYLVSFIEUUHGBZ-UHFFFAOYSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 90092853) is 2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(CF)CC=C(B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is CYLVSFIEUUHGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BFO2/c1-12(2)13(3,4)18-15(17-12)11-6-8-14(5,10-16)9-7-11/h6H,7-10H2,1-5H3.
What are the key properties of 2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 254.15 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)-4-methylcyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 90092853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).