bis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane

C24H13BF10 — CID 122371251

IUPACbis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane
SMILESCC(C)C1=CC(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2ccccc21
InChIInChI=1S/C24H13BF10/c1-8(2)11-7-12(10-6-4-3-5-9(10)11)25(13-15(26)19(30)23(34)20(31)16(13)27)14-17(28)21(32)24(35)22(33)18(14)29/h3-8,12H,1-2H3
InChIKeyQGSZDNDXXFNRMM-UHFFFAOYSA-N
MW502.16 g/mol
LogP6.06
Rot. Bonds4

About bis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane

bis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane (PubChem CID 122371251) has the molecular formula C24H13BF10 and a molecular weight of 502.16 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane.

Molecular Properties

Compound Namebis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane
PubChem CID122371251
Molecular FormulaC24H13BF10
Molecular Weight502.16 g/mol
Exact Mass502.10
IUPAC Namebis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane
SMILESCC(C)C1=CC(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2ccccc21
InChIInChI=1S/C24H13BF10/c1-8(2)11-7-12(10-6-4-3-5-9(10)11)25(13-15(26)19(30)23(34)20(31)16(13)27)14-17(28)21(32)24(35)22(33)18(14)29/h3-8,12H,1-2H3
InChIKeyQGSZDNDXXFNRMM-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.16
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Related Compounds

(1R)-3-propan-2-yl-1-[2-[(1R)-3-propan-2-yl-1H-inden-1-yl]ethyl]-1H-indene
CID 102156149
3-propan-2-yl-1-[2-(3-propan-2-yl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 22595380
(1S,2S)-2-methyl-4-propan-2-yl-1,2-dihydronaphthalen-1-ol
CID 134966420
2-(2-methylphenyl)-3-(2,3,4,5,6-pentafluoroanilino)-3H-isoindol-1-one
CID 46253590
1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene
CID 132560479
1,2,3,4,9,10,11,12-octafluorotetraphenylene
CID 59855591
1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene
CID 59143933
bis(2,3,4,5,6-pentafluorophenyl)-phenylborane
CID 11327649
9-(4-propan-2-ylphenyl)-9H-fluorene
CID 123721477
3-(dicyclopropylmethyl)-1-[[3-(dicyclopropylmethyl)-1H-inden-1-yl]methyl]-1H-indene
CID 22595452
1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 144908528
9-fluoro-9H-fluorene
CID 12685099

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane?
The IUPAC name of bis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane (CID 122371251) is bis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane.
What is the SMILES notation for bis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane?
The canonical SMILES for bis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane is CC(C)C1=CC(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2ccccc21.
What is the InChIKey of bis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane?
The InChIKey is QGSZDNDXXFNRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13BF10/c1-8(2)11-7-12(10-6-4-3-5-9(10)11)25(13-15(26)19(30)23(34)20(31)16(13)27)14-17(28)21(32)24(35)22(33)18(14)29/h3-8,12H,1-2H3.
What are the key properties of bis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane?
bis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane has a molecular weight of 502.16 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6-pentafluorophenyl)-(3-propan-2-yl-1H-inden-1-yl)borane is sourced from PubChem (CID 122371251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).