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

C19H22BFO2 — CID 171113367

IUPAC2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(=C(F)B1OC(C)(C)C(C)(C)O1)c1ccc2ccccc2c1
InChIInChI=1S/C19H22BFO2/c1-13(15-11-10-14-8-6-7-9-16(14)12-15)17(21)20-22-18(2,3)19(4,5)23-20/h6-12H,1-5H3
InChIKeyIBRBSDOAVZVYIM-UHFFFAOYSA-N
MW312.19 g/mol
LogP5.17
Rot. Bonds2

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

2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171113367) has the molecular formula C19H22BFO2 and a molecular weight of 312.19 g/mol. Its IUPAC name is 2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171113367
Molecular FormulaC19H22BFO2
Molecular Weight312.19 g/mol
Exact Mass312.17
IUPAC Name2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(=C(F)B1OC(C)(C)C(C)(C)O1)c1ccc2ccccc2c1
InChIInChI=1S/C19H22BFO2/c1-13(15-11-10-14-8-6-7-9-16(14)12-15)17(21)20-22-18(2,3)19(4,5)23-20/h6-12H,1-5H3
InChIKeyIBRBSDOAVZVYIM-UHFFFAOYSA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.19
LogP ≤ 55.17
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

2-(1-fluoro-2-naphthalen-2-ylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111326
4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-N-methylaniline
CID 171112272
1-[4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]phenyl]piperidine
CID 171111965
2-[1-fluoro-2-phenyl-2-(thian-4-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171114087
2-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol
CID 171114579
1-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-7-methoxyisoquinoline
CID 171112814
4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane
CID 11196194
4-bromo-2-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]phenol
CID 171114285
methyl 4-[2-fluoro-1-piperidin-4-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzoate
CID 171114046
(E)-2-naphthalen-2-ylprop-1-en-1-ol
CID 70376926
[4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 171112502
2-(2-benzyl-1-fluoro-3-phenylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111964

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171113367) is 2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is IBRBSDOAVZVYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BFO2/c1-13(15-11-10-14-8-6-7-9-16(14)12-15)17(21)20-22-18(2,3)19(4,5)23-20/h6-12H,1-5H3.
What are the key properties of 2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 312.19 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-2-naphthalen-2-ylprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171113367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).