2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H17BF2O2 — CID 155630229

IUPAC2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc3ccc(F)c(F)c23)OC1(C)C
InChIInChI=1S/C16H17BF2O2/c1-15(2)16(3,4)21-17(20-15)11-7-5-6-10-8-9-12(18)14(19)13(10)11/h5-9H,1-4H3
InChIKeyHTZYYYSRGICQHO-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.42
Rot. Bonds1

About 2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 155630229) has the molecular formula C16H17BF2O2 and a molecular weight of 290.12 g/mol. Its IUPAC name is 2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID155630229
Molecular FormulaC16H17BF2O2
Molecular Weight290.12 g/mol
Exact Mass290.13
IUPAC Name2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc3ccc(F)c(F)c23)OC1(C)C
InChIInChI=1S/C16H17BF2O2/c1-15(2)16(3,4)21-17(20-15)11-7-5-6-10-8-9-12(18)14(19)13(10)11/h5-9H,1-4H3
InChIKeyHTZYYYSRGICQHO-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.42
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

4,4,5,5-tetramethyl-2-phenanthren-4-yl-1,3,2-dioxaborolane
CID 133058867
2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177271320
4,4,5,5-tetramethyl-2-perylen-1-yl-1,3,2-dioxaborolane
CID 171780177
4,4,5,5-tetramethyl-2-pyren-2-yl-1,3,2-dioxaborolane
CID 139146026
[2-(7-fluoro-8-prop-1-ynylnaphthalen-1-yl)-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]-tri(propan-2-yl)silane
CID 176855131
(10-fluoro-4,4,5-trimethyl-3,18-dioxa-6-phospha-2-boratetracyclo[7.7.1.12,5.013,17]octadeca-1(17),9,11,13,15-pentaen-7-yn-6-yl)sulfanylthallium;sulfane
CID 156645774
ethyl 4-[2-fluoro-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]but-3-ynoate
CID 171613571
2,6-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 99738339
8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline-1-carbonitrile
CID 171157559
[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane
CID 167737077
1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
CID 100913450
2-(6-fluorodibenzofuran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170931267

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 155630229) is 2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2cccc3ccc(F)c(F)c23)OC1(C)C.
What is the InChIKey of 2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is HTZYYYSRGICQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BF2O2/c1-15(2)16(3,4)21-17(20-15)11-7-5-6-10-8-9-12(18)14(19)13(10)11/h5-9H,1-4H3.
What are the key properties of 2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 290.12 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 155630229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).