4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane

C10H15BF4O2 — CID 170903402

IUPAC4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C(F)=C/CC(F)(F)F)OC1(C)C
InChIInChI=1S/C10H15BF4O2/c1-8(2)9(3,4)17-11(16-8)7(12)5-6-10(13,14)15/h5H,6H2,1-4H3/b7-5-
InChIKeyATODUCDCDQXFTN-ALCCZGGFSA-N
MW254.03 g/mol
LogP3.42
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane (PubChem CID 170903402) has the molecular formula C10H15BF4O2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane
PubChem CID170903402
Molecular FormulaC10H15BF4O2
Molecular Weight254.03 g/mol
Exact Mass254.11
IUPAC Name4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C(F)=C/CC(F)(F)F)OC1(C)C
InChIInChI=1S/C10H15BF4O2/c1-8(2)9(3,4)17-11(16-8)7(12)5-6-10(13,14)15/h5H,6H2,1-4H3/b7-5-
InChIKeyATODUCDCDQXFTN-ALCCZGGFSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.03
LogP ≤ 53.42
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-[(Z)-1,4,4,4-tetrafluorobut-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

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane (CID 170903402) is 4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane is CC1(C)OB(/C(F)=C/CC(F)(F)F)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane?
The InChIKey is ATODUCDCDQXFTN-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H15BF4O2/c1-8(2)9(3,4)17-11(16-8)7(12)5-6-10(13,14)15/h5H,6H2,1-4H3/b7-5-.
What are the key properties of 4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane has a molecular weight of 254.03 g/mol, XLogP of 3.42, 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-[(Z)-1,4,4,4-tetrafluorobut-1-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 170903402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).