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

C11H18BF3O2 — CID 171110112

IUPAC4,4,5,5-tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=CCCC(F)F)OC1(C)C
InChIInChI=1S/C11H18BF3O2/c1-10(2)11(3,4)17-12(16-10)8(13)6-5-7-9(14)15/h6,9H,5,7H2,1-4H3
InChIKeyZIZCUFXSODQQEC-UHFFFAOYSA-N
MW250.07 g/mol
LogP3.52
Rot. Bonds4

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

4,4,5,5-tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane (PubChem CID 171110112) has the molecular formula C11H18BF3O2 and a molecular weight of 250.07 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane
PubChem CID171110112
Molecular FormulaC11H18BF3O2
Molecular Weight250.07 g/mol
Exact Mass250.14
IUPAC Name4,4,5,5-tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=CCCC(F)F)OC1(C)C
InChIInChI=1S/C11H18BF3O2/c1-10(2)11(3,4)17-12(16-10)8(13)6-5-7-9(14)15/h6,9H,5,7H2,1-4H3
InChIKeyZIZCUFXSODQQEC-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
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

4,4,5,5-Tetramethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborolane
CID 72221211
4,4,5,5-tetramethyl-2-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-1,3,2-dioxaborolane
CID 72218211
(Z)-2-(4-chloro-4-fluorobut-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162624083
(Z)-4,4,5,5-tetramethyl-2-(3,4,4,5,5,6,6,6-octafluorohex-2-en-1-yl)-1,3,2-dioxabo-ro-lane
CID 165415753
(E)-4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-2-en-1-yl)-1,3,2-dioxaborolane
CID 165415799
2-(3,3-Difluoroallyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170903801
2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177421331
4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)but-3-en-2-yl]-1,3,2-dioxaborolane
CID 123563651
(Z)-1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)-4,4,4-trifluoro-2-butene
CID 132542112
2-[2-(Difluoromethylidene)butyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 141667955
2-[(E)-5-fluorohex-4-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145157403
4,4,5,5-Tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane
CID 145199862

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane (CID 171110112) is 4,4,5,5-tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane is CC1(C)OB(C(F)=CCCC(F)F)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane?
The InChIKey is ZIZCUFXSODQQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BF3O2/c1-10(2)11(3,4)17-12(16-10)8(13)6-5-7-9(14)15/h6,9H,5,7H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane has a molecular weight of 250.07 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(1,5,5-trifluoropent-1-enyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 171110112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).