2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H20BFO2 — CID 11230774

IUPAC2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(F)c(C3CC3)c2)OC1(C)C
InChIInChI=1S/C15H20BFO2/c1-14(2)15(3,4)19-16(18-14)11-7-8-13(17)12(9-11)10-5-6-10/h7-10H,5-6H2,1-4H3
InChIKeyLQJNWLHPMPIZRY-UHFFFAOYSA-N
MW262.13 g/mol
LogP3.00
Rot. Bonds2

About 2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 11230774) has the molecular formula C15H20BFO2 and a molecular weight of 262.13 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID11230774
Molecular FormulaC15H20BFO2
Molecular Weight262.13 g/mol
Exact Mass262.15
IUPAC Name2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(F)c(C3CC3)c2)OC1(C)C
InChIInChI=1S/C15H20BFO2/c1-14(2)15(3,4)19-16(18-14)11-7-8-13(17)12(9-11)10-5-6-10/h7-10H,5-6H2,1-4H3
InChIKeyLQJNWLHPMPIZRY-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 11230774) is 2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(F)c(C3CC3)c2)OC1(C)C.
What is the InChIKey of 2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LQJNWLHPMPIZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BFO2/c1-14(2)15(3,4)19-16(18-14)11-7-8-13(17)12(9-11)10-5-6-10/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 262.13 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 11230774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).