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

C10H16BF3O2 — CID 146049018

IUPAC4,4,5,5-tetramethyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1,3,2-dioxaborolane
SMILESC/C(=C\B1OC(C)(C)C(C)(C)O1)C(F)(F)F
InChIInChI=1S/C10H16BF3O2/c1-7(10(12,13)14)6-11-15-8(2,3)9(4,5)16-11/h6H,1-5H3/b7-6+
InChIKeyPTEOQVLNKWOXGX-VOTSOKGWSA-N
MW236.04 g/mol
LogP3.13
Rot. Bonds1

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

4,4,5,5-tetramethyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1,3,2-dioxaborolane (PubChem CID 146049018) 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)-3,3,3-trifluoro-2-methylprop-1-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1,3,2-dioxaborolane
PubChem CID146049018
Molecular FormulaC10H16BF3O2
Molecular Weight236.04 g/mol
Exact Mass236.12
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1,3,2-dioxaborolane
SMILESC/C(=C\B1OC(C)(C)C(C)(C)O1)C(F)(F)F
InChIInChI=1S/C10H16BF3O2/c1-7(10(12,13)14)6-11-15-8(2,3)9(4,5)16-11/h6H,1-5H3/b7-6+
InChIKeyPTEOQVLNKWOXGX-VOTSOKGWSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.04
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1,3,2-dioxaborolane (CID 146049018) is 4,4,5,5-tetramethyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1,3,2-dioxaborolane is C/C(=C\B1OC(C)(C)C(C)(C)O1)C(F)(F)F.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1,3,2-dioxaborolane?
The InChIKey is PTEOQVLNKWOXGX-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H16BF3O2/c1-7(10(12,13)14)6-11-15-8(2,3)9(4,5)16-11/h6H,1-5H3/b7-6+.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1,3,2-dioxaborolane has a molecular weight of 236.04 g/mol, XLogP of 3.13, 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-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 146049018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).