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

C9H13BF4O2 — CID 171109654

IUPAC4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=CC(F)(F)F)OC1(C)C
InChIInChI=1S/C9H13BF4O2/c1-7(2)8(3,4)16-10(15-7)6(11)5-9(12,13)14/h5H,1-4H3
InChIKeyKJHBDSIQAUUZRC-UHFFFAOYSA-N
MW240.00 g/mol
LogP3.03
Rot. Bonds1

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

4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane (PubChem CID 171109654) has the molecular formula C9H13BF4O2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane
PubChem CID171109654
Molecular FormulaC9H13BF4O2
Molecular Weight240.00 g/mol
Exact Mass240.09
IUPAC Name4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=CC(F)(F)F)OC1(C)C
InChIInChI=1S/C9H13BF4O2/c1-7(2)8(3,4)16-10(15-7)6(11)5-9(12,13)14/h5H,1-4H3
InChIKeyKJHBDSIQAUUZRC-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.00
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2,2,2-trifluoroethyl)-1,3,2-dioxaborolane
CID 137698951
2-(2,2-Difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138040272
4,4,5,5-tetramethyl-2-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-1,3,2-dioxaborolane
CID 72218211
4,4,5,5-Tetramethyl-2-(2,2,3,3,3-pentafluoropropyl)-1,3,2-dioxaborolane
CID 102527292
4,4,5,5-Tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane
CID 132594467
4,4,5,5-Tetramethyl-2-(3,3,3-trifluoro-2-methylprop-1-en-1-yl)-1,3,2-dioxaborolane
CID 146049018
2-(3,3-Difluoro-2-methylprop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165604435
(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
(Z)-4,4,5,5-tetramethyl-2-(3,4,4,4-tetrafluorobut-2-en-1-yl)-1,3,2-dioxaborolane
CID 165415786
(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

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane (CID 171109654) is 4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane is CC1(C)OB(C(F)=CC(F)(F)F)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane?
The InChIKey is KJHBDSIQAUUZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BF4O2/c1-7(2)8(3,4)16-10(15-7)6(11)5-9(12,13)14/h5H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane has a molecular weight of 240.00 g/mol, XLogP of 3.03, 1 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-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 171109654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).