(4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid

C16H6BF7O2 — CID 141042463

IUPAC(4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid
SMILESOB(Oc1c(F)ccc(F)c1F)c1ccc(F)c2c(F)c(F)c(F)cc12
InChIInChI=1S/C16H6BF7O2/c18-8-2-1-7(6-5-11(21)13(22)15(24)12(6)8)17(25)26-16-10(20)4-3-9(19)14(16)23/h1-5,25H
InChIKeyXFEPUUXDPNTVMQ-UHFFFAOYSA-N
MW374.02 g/mol
LogP3.58
Rot. Bonds3

About (4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid

(4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid (PubChem CID 141042463) has the molecular formula C16H6BF7O2 and a molecular weight of 374.02 g/mol. Its IUPAC name is (4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid.

Molecular Properties

Compound Name(4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid
PubChem CID141042463
Molecular FormulaC16H6BF7O2
Molecular Weight374.02 g/mol
Exact Mass374.03
IUPAC Name(4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid
SMILESOB(Oc1c(F)ccc(F)c1F)c1ccc(F)c2c(F)c(F)c(F)cc12
InChIInChI=1S/C16H6BF7O2/c18-8-2-1-7(6-5-11(21)13(22)15(24)12(6)8)17(25)26-16-10(20)4-3-9(19)14(16)23/h1-5,25H
InChIKeyXFEPUUXDPNTVMQ-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.02
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)borinic acid
CID 141042425
(3,4-difluoro-2-methoxyphenyl)-methoxyborinic acid
CID 145222116
bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane
CID 141042869
methylperoxy-(2,3,4-trifluorophenyl)borinic acid
CID 141191380
(2,3,4,5,6-pentafluoropyren-1-yl) bis(2,3,6-trifluorophenyl) borate
CID 139978285
(2,3,4,6-tetrafluorophenoxy)boronic acid
CID 23221750
1,2,5,8-tetrafluoronaphthalene
CID 135202190
(2,3,4,5,6-pentafluoropyren-1-yl)oxy-[2-(2,3,5-trifluorophenyl)phenyl]borinic acid
CID 141042621
(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)oxyborane
CID 141042448
(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) borate
CID 151654204
1H-pyrrole;tris(2,3,6-trifluorophenyl) borate
CID 172826277
(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl) (2,3,4,5,6-pentafluorophenyl) (4,5,6-trifluoronaphthalen-1-yl) borate
CID 152520108

Frequently Asked Questions

What is the IUPAC name of (4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid?
The IUPAC name of (4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid (CID 141042463) is (4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid.
What is the SMILES notation for (4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid?
The canonical SMILES for (4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid is OB(Oc1c(F)ccc(F)c1F)c1ccc(F)c2c(F)c(F)c(F)cc12.
What is the InChIKey of (4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid?
The InChIKey is XFEPUUXDPNTVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6BF7O2/c18-8-2-1-7(6-5-11(21)13(22)15(24)12(6)8)17(25)26-16-10(20)4-3-9(19)14(16)23/h1-5,25H.
What are the key properties of (4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid?
(4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid has a molecular weight of 374.02 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid is sourced from PubChem (CID 141042463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).