2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H21BF2O2 — CID 141467502

IUPAC2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC(=C(F)F)c2cccc3ccccc23)OC1(C)C
InChIInChI=1S/C19H21BF2O2/c1-18(2)19(3,4)24-20(23-18)12-16(17(21)22)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,12H2,1-4H3
InChIKeyWMFATAGNSIPMOT-UHFFFAOYSA-N
MW330.18 g/mol
LogP5.54
Rot. Bonds3

About 2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 141467502) has the molecular formula C19H21BF2O2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID141467502
Molecular FormulaC19H21BF2O2
Molecular Weight330.18 g/mol
Exact Mass330.16
IUPAC Name2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC(=C(F)F)c2cccc3ccccc23)OC1(C)C
InChIInChI=1S/C19H21BF2O2/c1-18(2)19(3,4)24-20(23-18)12-16(17(21)22)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,12H2,1-4H3
InChIKeyWMFATAGNSIPMOT-UHFFFAOYSA-N
XLogP5.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.18
LogP ≤ 55.54
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
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4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane
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4,4,5,5-tetramethyl-2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane
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1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine
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CID 102208465
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azane;1-prop-1-en-2-ylnaphthalene
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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 141467502) is 2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(CC(=C(F)F)c2cccc3ccccc23)OC1(C)C.
What is the InChIKey of 2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is WMFATAGNSIPMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BF2O2/c1-18(2)19(3,4)24-20(23-18)12-16(17(21)22)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,12H2,1-4H3.
What are the key properties of 2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 330.18 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-2-naphthalen-1-ylprop-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 141467502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).