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

C11H18BFO2 — CID 171109674

IUPAC2-(2-cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=CC2CC2)OC1(C)C
InChIInChI=1S/C11H18BFO2/c1-10(2)11(3,4)15-12(14-10)9(13)7-8-5-6-8/h7-8H,5-6H2,1-4H3
InChIKeySYZFITRBMBDPSD-UHFFFAOYSA-N
MW212.07 g/mol
LogP2.88
Rot. Bonds2

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

2-(2-cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171109674) has the molecular formula C11H18BFO2 and a molecular weight of 212.07 g/mol. Its IUPAC name is 2-(2-cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171109674
Molecular FormulaC11H18BFO2
Molecular Weight212.07 g/mol
Exact Mass212.14
IUPAC Name2-(2-cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=CC2CC2)OC1(C)C
InChIInChI=1S/C11H18BFO2/c1-10(2)11(3,4)15-12(14-10)9(13)7-8-5-6-8/h7-8H,5-6H2,1-4H3
InChIKeySYZFITRBMBDPSD-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.07
LogP ≤ 52.88
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

(E)-2-Cyclopropylethylene-1-boronic acid, pinacol ester
CID 16217940
(E)-4,4,5,5-Tetramethyl-2-(4-methylpent-1-en-1-yl)-1,3,2-dioxaborolane
CID 124273621
2-(1-Cyclopropylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 67459974
2-(2-Cyclopropylprop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155904381
2-(1-Ethenylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165605375
(Z)-2-(2-Cyclopropylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 51341975
2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164530123
4,4,5,5-tetramethyl-2-[(1E)-3-methylpent-1-en-1-yl]-1,3,2-dioxaborolane
CID 14927840
4,4,5,5-Tetramethyl-2-(3-methylpent-4-enyl)-1,3,2-dioxaborolane
CID 101146653
4,4,5,5-tetramethyl-2-[(3S)-4-methylpent-1-en-3-yl]-1,3,2-dioxaborolane
CID 125508072
lithium 2-tert-butyl-2-[(E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopentane
CID 176434524
2-[2-(1-Fluorocyclopropyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165465476

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171109674) is 2-(2-cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C(F)=CC2CC2)OC1(C)C.
What is the InChIKey of 2-(2-cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SYZFITRBMBDPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BFO2/c1-10(2)11(3,4)15-12(14-10)9(13)7-8-5-6-8/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(2-cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 212.07 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-1-fluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171109674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).