2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H26BFO2 — CID 171110465

IUPAC2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)CC1CC1
InChIInChI=1S/C15H26BFO2/c1-13(2,9-11-7-8-11)10-12(17)16-18-14(3,4)15(5,6)19-16/h10-11H,7-9H2,1-6H3
InChIKeyZOMZKUFQOSLZCT-UHFFFAOYSA-N
MW268.18 g/mol
LogP4.30
Rot. Bonds4

About 2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171110465) has the molecular formula C15H26BFO2 and a molecular weight of 268.18 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171110465
Molecular FormulaC15H26BFO2
Molecular Weight268.18 g/mol
Exact Mass268.20
IUPAC Name2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)CC1CC1
InChIInChI=1S/C15H26BFO2/c1-13(2,9-11-7-8-11)10-12(17)16-18-14(3,4)15(5,6)19-16/h10-11H,7-9H2,1-6H3
InChIKeyZOMZKUFQOSLZCT-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 54.30
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-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171110465) is 2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)CC1CC1.
What is the InChIKey of 2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ZOMZKUFQOSLZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BFO2/c1-13(2,9-11-7-8-11)10-12(17)16-18-14(3,4)15(5,6)19-16/h10-11H,7-9H2,1-6H3.
What are the key properties of 2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 268.18 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1-fluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171110465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).