4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane

C10H16BF3O2 — CID 145199862

IUPAC4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane
SMILESC=C(CC(F)(F)F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H16BF3O2/c1-7(6-10(12,13)14)11-15-8(2,3)9(4,5)16-11/h1,6H2,2-5H3
InChIKeyPAVZTFFDRBZQDM-UHFFFAOYSA-N
MW236.04 g/mol
LogP3.13
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane (PubChem CID 145199862) has the molecular formula C10H16BF3O2 and a molecular weight of 236.04 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane
PubChem CID145199862
Molecular FormulaC10H16BF3O2
Molecular Weight236.04 g/mol
Exact Mass236.12
IUPAC Name4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane
SMILESC=C(CC(F)(F)F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H16BF3O2/c1-7(6-10(12,13)14)11-15-8(2,3)9(4,5)16-11/h1,6H2,2-5H3
InChIKeyPAVZTFFDRBZQDM-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.04
LogP ≤ 53.13
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-(pent-1-en-2-yl)-1,3,2-dioxaborolane
CID 123897364
4,4,5,5-Tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane
CID 72221109
4,4,5,5-Tetramethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborolane
CID 72221211
2-(But-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 86724022
2-(2,2-Difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138040272
4,4,5,5-Tetramethyl-2-(3,3,3-trifluoro-2-methylprop-1-en-1-yl)-1,3,2-dioxaborolane
CID 146049018
2-((4,4-Difluorocyclohexylidene)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155291396
2-(3,3-Difluoro-2-methylprop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165604435
(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
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

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane (CID 145199862) is 4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane is C=C(CC(F)(F)F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane?
The InChIKey is PAVZTFFDRBZQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BF3O2/c1-7(6-10(12,13)14)11-15-8(2,3)9(4,5)16-11/h1,6H2,2-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane has a molecular weight of 236.04 g/mol, XLogP of 3.13, 2 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-(4,4,4-trifluorobut-1-en-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 145199862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).