4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane

C9H14BF3O2 — CID 155821972

IUPAC4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC(F)=C(F)F)OC1(C)C
InChIInChI=1S/C9H14BF3O2/c1-8(2)9(3,4)15-10(14-8)5-6(11)7(12)13/h5H2,1-4H3
InChIKeyQBHBRERINGSATB-UHFFFAOYSA-N
MW222.01 g/mol
LogP3.16
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane (PubChem CID 155821972) has the molecular formula C9H14BF3O2 and a molecular weight of 222.01 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane
PubChem CID155821972
Molecular FormulaC9H14BF3O2
Molecular Weight222.01 g/mol
Exact Mass222.10
IUPAC Name4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC(F)=C(F)F)OC1(C)C
InChIInChI=1S/C9H14BF3O2/c1-8(2)9(3,4)15-10(14-8)5-6(11)7(12)13/h5H2,1-4H3
InChIKeyQBHBRERINGSATB-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.01
LogP ≤ 53.16
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

CID 162607291
CID 162607291
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-1,3,2-dioxaborolane
CID 11748396
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 11471561
2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 141467502
methyl 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]but-2-enoate
CID 73025701
2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane
CID 143883669
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 170985239
1-(4-morpholin-4-ylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanone
CID 75486984
methyl (2Z)-6-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]hepta-2,6-dienoate
CID 155677529
2-(3,3-dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15259989
2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59759258
4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane
CID 134904577

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane (CID 155821972) is 4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane is CC1(C)OB(CC(F)=C(F)F)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane?
The InChIKey is QBHBRERINGSATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BF3O2/c1-8(2)9(3,4)15-10(14-8)5-6(11)7(12)13/h5H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane has a molecular weight of 222.01 g/mol, XLogP of 3.16, 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-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 155821972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).