(2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane

C28H11BF10O2 — CID 141052268

IUPAC(2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane
SMILESFC1=Cc2ccccc2C1OB(Oc1c(F)c(F)c(F)c2c(F)c(F)ccc12)C1C(F)=C(F)c2c1ccc(F)c2F
InChIInChI=1S/C28H11BF10O2/c30-14-7-5-12-17(20(14)33)22(35)24(37)19(12)29(40-27-11-4-2-1-3-10(11)9-16(27)32)41-28-13-6-8-15(31)21(34)18(13)23(36)25(38)26(28)39/h1-9,19,27H
InChIKeyDWHNPHMHYZWARE-UHFFFAOYSA-N
MW580.19 g/mol
LogP8.71
Rot. Bonds5

About (2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane

(2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane (PubChem CID 141052268) has the molecular formula C28H11BF10O2 and a molecular weight of 580.19 g/mol. Its IUPAC name is (2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane.

Molecular Properties

Compound Name(2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane
PubChem CID141052268
Molecular FormulaC28H11BF10O2
Molecular Weight580.19 g/mol
Exact Mass580.07
IUPAC Name(2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane
SMILESFC1=Cc2ccccc2C1OB(Oc1c(F)c(F)c(F)c2c(F)c(F)ccc12)C1C(F)=C(F)c2c1ccc(F)c2F
InChIInChI=1S/C28H11BF10O2/c30-14-7-5-12-17(20(14)33)22(35)24(37)19(12)29(40-27-11-4-2-1-3-10(11)9-16(27)32)41-28-13-6-8-15(31)21(34)18(13)23(36)25(38)26(28)39/h1-9,19,27H
InChIKeyDWHNPHMHYZWARE-UHFFFAOYSA-N
XLogP8.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.19
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane
CID 141052337
(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid
CID 141052424
(2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid
CID 141052406
(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid
CID 141052266
1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene
CID 91341325
(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borinic acid
CID 141052415
(2,3,4,5,6-pentafluoropyren-1-yl) bis(2,3,6-trifluorophenyl) borate
CID 139978285
(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane
CID 141052376
2,3,4,5-tetrafluoro-1-methyl-1H-indene
CID 126756473
(2,5-difluorophenyl)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane
CID 141052331
(2,4-difluorophenyl) bis[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluoronaphthalen-1-yl)naphthalen-1-yl] borate
CID 139989723
(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 (2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane?
The IUPAC name of (2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane (CID 141052268) is (2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane.
What is the SMILES notation for (2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane?
The canonical SMILES for (2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane is FC1=Cc2ccccc2C1OB(Oc1c(F)c(F)c(F)c2c(F)c(F)ccc12)C1C(F)=C(F)c2c1ccc(F)c2F.
What is the InChIKey of (2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane?
The InChIKey is DWHNPHMHYZWARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H11BF10O2/c30-14-7-5-12-17(20(14)33)22(35)24(37)19(12)29(40-27-11-4-2-1-3-10(11)9-16(27)32)41-28-13-6-8-15(31)21(34)18(13)23(36)25(38)26(28)39/h1-9,19,27H.
What are the key properties of (2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane?
(2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane has a molecular weight of 580.19 g/mol, XLogP of 8.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane is sourced from PubChem (CID 141052268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).