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

C9H15BF2O2 — CID 170903801

IUPAC2-(3,3-difluoroprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC=C(F)F)OC1(C)C
InChIInChI=1S/C9H15BF2O2/c1-8(2)9(3,4)14-10(13-8)6-5-7(11)12/h5H,6H2,1-4H3
InChIKeyFGIAPXOTBDNQDC-UHFFFAOYSA-N
MW204.02 g/mol
LogP2.86
Rot. Bonds2

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

2-(3,3-difluoroprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 170903801) has the molecular formula C9H15BF2O2 and a molecular weight of 204.02 g/mol. Its IUPAC name is 2-(3,3-difluoroprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3,3-difluoroprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID170903801
Molecular FormulaC9H15BF2O2
Molecular Weight204.02 g/mol
Exact Mass204.11
IUPAC Name2-(3,3-difluoroprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC=C(F)F)OC1(C)C
InChIInChI=1S/C9H15BF2O2/c1-8(2)9(3,4)14-10(13-8)6-5-7(11)12/h5H,6H2,1-4H3
InChIKeyFGIAPXOTBDNQDC-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.02
LogP ≤ 52.86
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 2-(3,3-difluoroprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3,3-difluoroprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 170903801) is 2-(3,3-difluoroprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3,3-difluoroprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3,3-difluoroprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(CC=C(F)F)OC1(C)C.
What is the InChIKey of 2-(3,3-difluoroprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is FGIAPXOTBDNQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BF2O2/c1-8(2)9(3,4)14-10(13-8)6-5-7(11)12/h5H,6H2,1-4H3.
What are the key properties of 2-(3,3-difluoroprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3,3-difluoroprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 204.02 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 170903801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).