2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C10H17BClFO2 — CID 162624083

IUPAC2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC/C=C(/F)Cl)OC1(C)C
InChIInChI=1S/C10H17BClFO2/c1-9(2)10(3,4)15-11(14-9)7-5-6-8(12)13/h6H,5,7H2,1-4H3/b8-6+
InChIKeyBCWTVJGCDGSKBU-SOFGYWHQSA-N
MW234.51 g/mol
LogP3.52
Rot. Bonds3

About 2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 162624083) has the molecular formula C10H17BClFO2 and a molecular weight of 234.51 g/mol. Its IUPAC name is 2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID162624083
Molecular FormulaC10H17BClFO2
Molecular Weight234.51 g/mol
Exact Mass234.10
IUPAC Name2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC/C=C(/F)Cl)OC1(C)C
InChIInChI=1S/C10H17BClFO2/c1-9(2)10(3,4)15-11(14-9)7-5-6-8(12)13/h6H,5,7H2,1-4H3/b8-6+
InChIKeyBCWTVJGCDGSKBU-SOFGYWHQSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.51
LogP ≤ 53.52
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

2-[(E)-1-chloro-3-methylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 49857357
2-[(E)-1-chloro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 49857358
2-[(E)-1-chloropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 49857551
2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164530123
4,4,5,5-Tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane
CID 171110112
2-[1,4-Difluoro-3-(fluoromethyl)but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110176
4,4,5,5-Tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane
CID 171110563
2-(1,4-Difluoro-3,3-dimethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110564
2-(1-Fluorohex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111263
2-(1-Fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111275
2-(1-Fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111301
2-(1-Fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111311

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 162624083) is 2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(CC/C=C(/F)Cl)OC1(C)C.
What is the InChIKey of 2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is BCWTVJGCDGSKBU-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H17BClFO2/c1-9(2)10(3,4)15-11(14-9)7-5-6-8(12)13/h6H,5,7H2,1-4H3/b8-6+.
What are the key properties of 2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 234.51 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-chloro-4-fluorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 162624083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).