4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane

C10H16BF3O2 — CID 165415799

IUPAC4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C/C=C/C(F)(F)F)OC1(C)C
InChIInChI=1S/C10H16BF3O2/c1-8(2)9(3,4)16-11(15-8)7-5-6-10(12,13)14/h5-6H,7H2,1-4H3/b6-5+
InChIKeyAXMMXEZEFZTFBX-AATRIKPKSA-N
MW236.04 g/mol
LogP3.20
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane (PubChem CID 165415799) has the molecular formula C10H16BF3O2 and a molecular weight of 236.04 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane
PubChem CID165415799
Molecular FormulaC10H16BF3O2
Molecular Weight236.04 g/mol
Exact Mass236.12
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C/C=C/C(F)(F)F)OC1(C)C
InChIInChI=1S/C10H16BF3O2/c1-8(2)9(3,4)16-11(15-8)7-5-6-10(12,13)14/h5-6H,7H2,1-4H3/b6-5+
InChIKeyAXMMXEZEFZTFBX-AATRIKPKSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-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

(E)-2-(But-2-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 13267417
4,4,5,5-Tetramethyl-2-(prop-2-en-1-yl)-1,3,2-dioxaborolane
CID 2763171
4,4,5,5-tetramethyl-2-[(1E)-prop-1-en-1-yl]-1,3,2-dioxaborolane
CID 11344214
(E)-2-(But-2-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11805368
(Z)-2-Buten-2-ylboronic acid pinacol ester
CID 13267416
4,4,5,5-Tetramethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborolane
CID 72221211
(E)-2-Buten-2-ylboronic acid pinacol ester
CID 73179724
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-(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-(3,4,4,4-tetrafluorobut-2-en-1-yl)-1,3,2-dioxaborolane
CID 165415786
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-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane (CID 165415799) is 4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane is CC1(C)OB(C/C=C/C(F)(F)F)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane?
The InChIKey is AXMMXEZEFZTFBX-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16BF3O2/c1-8(2)9(3,4)16-11(15-8)7-5-6-10(12,13)14/h5-6H,7H2,1-4H3/b6-5+.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane has a molecular weight of 236.04 g/mol, XLogP of 3.20, 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-[(E)-4,4,4-trifluorobut-2-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 165415799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).