4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane

C13H18BF7O2 — CID 171110004

IUPAC4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=CC(CC(F)(F)F)CC(F)(F)F)OC1(C)C
InChIInChI=1S/C13H18BF7O2/c1-10(2)11(3,4)23-14(22-10)9(15)5-8(6-12(16,17)18)7-13(19,20)21/h5,8H,6-7H2,1-4H3
InChIKeyUQJSXGQSPIAZKJ-UHFFFAOYSA-N
MW350.08 g/mol
LogP4.99
Rot. Bonds4

About 4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane (PubChem CID 171110004) has the molecular formula C13H18BF7O2 and a molecular weight of 350.08 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane
PubChem CID171110004
Molecular FormulaC13H18BF7O2
Molecular Weight350.08 g/mol
Exact Mass350.13
IUPAC Name4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=CC(CC(F)(F)F)CC(F)(F)F)OC1(C)C
InChIInChI=1S/C13H18BF7O2/c1-10(2)11(3,4)23-14(22-10)9(15)5-8(6-12(16,17)18)7-13(19,20)21/h5,8H,6-7H2,1-4H3
InChIKeyUQJSXGQSPIAZKJ-UHFFFAOYSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.08
LogP ≤ 54.99
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-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-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

2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177421331
2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177469361
CID 159917882
CID 159917882
2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164530123
4,4,5,5-tetramethyl-2-[(E)-3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohex-1-enyl]-1,3,2-dioxaborolane
CID 102482099
2-[2-(3,3-Difluorocyclopentyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165471394
(Z)-4,4,5,5-Tetramethyl-2-(1,4,4,4-tetrafluorobut-1-en-1-yl)-1,3,2-dioxaborolane
CID 170903402
4,4,5,5-Tetramethyl-2-(1,6,6,6-tetrafluoro-3-methylhex-1-enyl)-1,3,2-dioxaborolane
CID 171109941
2-(3-Ethyl-1,6,6,6-tetrafluorohex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109942
2-[1-Fluoro-2-[1-(trifluoromethyl)cyclopentyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109954
2-(3-Ethyl-1,5,5,5-tetrafluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109988
4,4,5,5-Tetramethyl-2-(1,6,6,6-tetrafluoro-3,3-dimethylhex-1-enyl)-1,3,2-dioxaborolane
CID 171110003

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane (CID 171110004) is 4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane is CC1(C)OB(C(F)=CC(CC(F)(F)F)CC(F)(F)F)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane?
The InChIKey is UQJSXGQSPIAZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BF7O2/c1-10(2)11(3,4)23-14(22-10)9(15)5-8(6-12(16,17)18)7-13(19,20)21/h5,8H,6-7H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane has a molecular weight of 350.08 g/mol, XLogP of 4.99, 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-[1,5,5,5-tetrafluoro-3-(2,2,2-trifluoroethyl)pent-1-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 171110004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).