2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C10H18BFO2 — CID 171111301

IUPAC2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H18BFO2/c1-6-7-8(12)11-13-9(2,3)10(4,5)14-11/h7H,6H2,1-5H3
InChIKeyZZBWPZBRTXVFJH-UHFFFAOYSA-N
MW200.06 g/mol
LogP2.88
Rot. Bonds2

About 2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171111301) has the molecular formula C10H18BFO2 and a molecular weight of 200.06 g/mol. Its IUPAC name is 2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171111301
Molecular FormulaC10H18BFO2
Molecular Weight200.06 g/mol
Exact Mass200.14
IUPAC Name2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H18BFO2/c1-6-7-8(12)11-13-9(2,3)10(4,5)14-11/h7H,6H2,1-5H3
InChIKeyZZBWPZBRTXVFJH-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.06
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

2-[(1E)-3,3-Dimethyl-1-buten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11769738
4,4,5,5-Tetramethyl-2-[(1E)-pent-1-en-1-yl]-1,3,2-dioxaborolane
CID 15211560
4,4,5,5-tetramethyl-2-((1E)-3-methylbut-1-en-1-yl)-1,3,2-dioxaborolane
CID 15206435
2-(3,3-Dimethylbut-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15496053
2-(But-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46739762
4,4,5,5-Tetramethyl-2-(pent-1-en-2-yl)-1,3,2-dioxaborolane
CID 123897364
4,4,5,5-Tetramethyl-2-(pent-1-en-3-yl)-1,3,2-dioxaborolane
CID 11701200
4,4,5,5-Tetramethyl-2-(2-methylbut-3-en-2-yl)-1,3,2-dioxaborolane
CID 14893005
4,4,5,5-Tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane
CID 72221109
2-(But-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 86724022
2-(Cyclobut-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 141481602
(Z)-2-(4-chloro-4-fluorobut-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162624083

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171111301) is 2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC=C(F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ZZBWPZBRTXVFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BFO2/c1-6-7-8(12)11-13-9(2,3)10(4,5)14-11/h7H,6H2,1-5H3.
What are the key properties of 2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 200.06 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-(1-fluorobut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171111301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).