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

C10H15BF4O2 — CID 165415786

IUPAC4,4,5,5-tetramethyl-2-[(Z)-3,4,4,4-tetrafluorobut-2-enyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C/C=C(\F)C(F)(F)F)OC1(C)C
InChIInChI=1S/C10H15BF4O2/c1-8(2)9(3,4)17-11(16-8)6-5-7(12)10(13,14)15/h5H,6H2,1-4H3/b7-5-
InChIKeyZVRWKCBJTOMCAO-ALCCZGGFSA-N
MW254.03 g/mol
LogP3.49
Rot. Bonds2

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

4,4,5,5-tetramethyl-2-[(Z)-3,4,4,4-tetrafluorobut-2-enyl]-1,3,2-dioxaborolane (PubChem CID 165415786) 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)-3,4,4,4-tetrafluorobut-2-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(Z)-3,4,4,4-tetrafluorobut-2-enyl]-1,3,2-dioxaborolane
PubChem CID165415786
Molecular FormulaC10H15BF4O2
Molecular Weight254.03 g/mol
Exact Mass254.11
IUPAC Name4,4,5,5-tetramethyl-2-[(Z)-3,4,4,4-tetrafluorobut-2-enyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C/C=C(\F)C(F)(F)F)OC1(C)C
InChIInChI=1S/C10H15BF4O2/c1-8(2)9(3,4)17-11(16-8)6-5-7(12)10(13,14)15/h5H,6H2,1-4H3/b7-5-
InChIKeyZVRWKCBJTOMCAO-ALCCZGGFSA-N
XLogP3.49
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 ≤ 53.49
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-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborolane
CID 72221211
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
(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
(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
(Z)-1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)-4,4,4-trifluoro-2-butene
CID 132542112
4,4-dimethyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]-1,3,2-dioxaborolane
CID 142765273
4,4,5,5-Tetramethyl-2-(3,3,3-trifluoroprop-1-en-1-yl)-1,3,2-dioxaborolane
CID 155888096
4,4,5,5-Tetramethyl-2-(1,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborolane
CID 175395137

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-3,4,4,4-tetrafluorobut-2-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-3,4,4,4-tetrafluorobut-2-enyl]-1,3,2-dioxaborolane (CID 165415786) is 4,4,5,5-tetramethyl-2-[(Z)-3,4,4,4-tetrafluorobut-2-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(Z)-3,4,4,4-tetrafluorobut-2-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(Z)-3,4,4,4-tetrafluorobut-2-enyl]-1,3,2-dioxaborolane is CC1(C)OB(C/C=C(\F)C(F)(F)F)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(Z)-3,4,4,4-tetrafluorobut-2-enyl]-1,3,2-dioxaborolane?
The InChIKey is ZVRWKCBJTOMCAO-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H15BF4O2/c1-8(2)9(3,4)17-11(16-8)6-5-7(12)10(13,14)15/h5H,6H2,1-4H3/b7-5-.
What are the key properties of 4,4,5,5-tetramethyl-2-[(Z)-3,4,4,4-tetrafluorobut-2-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(Z)-3,4,4,4-tetrafluorobut-2-enyl]-1,3,2-dioxaborolane has a molecular weight of 254.03 g/mol, XLogP of 3.49, 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)-3,4,4,4-tetrafluorobut-2-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 165415786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).