2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C22H20BFO3 — CID 177271320

IUPAC2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc3ccc4oc5ccc(F)cc5c4c23)OC1(C)C
InChIInChI=1S/C22H20BFO3/c1-21(2)22(3,4)27-23(26-21)16-7-5-6-13-8-10-18-20(19(13)16)15-12-14(24)9-11-17(15)25-18/h5-12H,1-4H3
InChIKeyUNPWSBMPDIKBCI-UHFFFAOYSA-N
MW362.21 g/mol
LogP5.18
Rot. Bonds1

About 2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 177271320) has the molecular formula C22H20BFO3 and a molecular weight of 362.21 g/mol. Its IUPAC name is 2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID177271320
Molecular FormulaC22H20BFO3
Molecular Weight362.21 g/mol
Exact Mass362.15
IUPAC Name2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc3ccc4oc5ccc(F)cc5c4c23)OC1(C)C
InChIInChI=1S/C22H20BFO3/c1-21(2)22(3,4)27-23(26-21)16-7-5-6-13-8-10-18-20(19(13)16)15-12-14(24)9-11-17(15)25-18/h5-12H,1-4H3
InChIKeyUNPWSBMPDIKBCI-UHFFFAOYSA-N
XLogP5.18
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.21
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155630229
4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,2-dioxaborolane
CID 153437831
2-(7-fluorodibenzofuran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 151271926
4,4,5,5-tetramethyl-2-(8-phenanthren-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 140946516
4,4,5,5-tetramethyl-2-phenanthren-4-yl-1,3,2-dioxaborolane
CID 133058867
4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 156631285
CID 161053768
CID 161053768
4,4,5,5-tetramethyl-2-perylen-1-yl-1,3,2-dioxaborolane
CID 171780177
4,4,5,5-tetramethyl-2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)-1,3,2-dioxaborolane
CID 164569154
4,4,5,5-tetramethyl-2-pyren-2-yl-1,3,2-dioxaborolane
CID 139146026
8-fluorodibenzofuran-1-amine
CID 122424465
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol
CID 157328248

Frequently Asked Questions

What is the IUPAC name of 2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 177271320) is 2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2cccc3ccc4oc5ccc(F)cc5c4c23)OC1(C)C.
What is the InChIKey of 2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is UNPWSBMPDIKBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BFO3/c1-21(2)22(3,4)27-23(26-21)16-7-5-6-13-8-10-18-20(19(13)16)15-12-14(24)9-11-17(15)25-18/h5-12H,1-4H3.
What are the key properties of 2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 362.21 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-fluoronaphtho[2,1-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 177271320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).