tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide

C20H12BF32- — CID 22465087

IUPACtetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C[B-](CC(F)(F)C(F)(F)C(F)(F)C(F)F)(CC(F)(F)C(F)(F)C(F)(F)C(F)F)CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C20H12BF32/c22-5(23)13(38,39)17(46,47)9(30,31)1-21(2-10(32,33)18(48,49)14(40,41)6(24)25,3-11(34,35)19(50,51)15(42,43)7(26)27)4-12(36,37)20(52,53)16(44,45)8(28)29/h5-8H,1-4H2/q-1
InChIKeyRFNUKBRHOAZOHN-UHFFFAOYSA-N
MW871.06 g/mol
LogP12.12
Rot. Bonds20

About tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide

tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide (PubChem CID 22465087) has the molecular formula C20H12BF32- and a molecular weight of 871.06 g/mol. Its IUPAC name is tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide.

Molecular Properties

Compound Nametetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide
PubChem CID22465087
Molecular FormulaC20H12BF32-
Molecular Weight871.06 g/mol
Exact Mass871.05
IUPAC Nametetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C[B-](CC(F)(F)C(F)(F)C(F)(F)C(F)F)(CC(F)(F)C(F)(F)C(F)(F)C(F)F)CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C20H12BF32/c22-5(23)13(38,39)17(46,47)9(30,31)1-21(2-10(32,33)18(48,49)14(40,41)6(24)25,3-11(34,35)19(50,51)15(42,43)7(26)27)4-12(36,37)20(52,53)16(44,45)8(28)29/h5-8H,1-4H2/q-1
InChIKeyRFNUKBRHOAZOHN-UHFFFAOYSA-N
XLogP12.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.06
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4-octafluoro-5-iodopentane
CID 2775883
2,2,3,3,4,4,5,5-octafluoropentyl hypoiodite
CID 148632122
1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane
CID 168937554
1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane
CID 87506465
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane
CID 10816307
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
CID 2776291
1,1,2,2,3,3,4,4-octafluorodecane
CID 10613179
1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane
CID 146014385
ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane
CID 87793625
1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane
CID 163290381
2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
CID 134263886
1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane
CID 10018385

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide?
The IUPAC name of tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide (CID 22465087) is tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide.
What is the SMILES notation for tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide?
The canonical SMILES for tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide is FC(F)C(F)(F)C(F)(F)C(F)(F)C[B-](CC(F)(F)C(F)(F)C(F)(F)C(F)F)(CC(F)(F)C(F)(F)C(F)(F)C(F)F)CC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide?
The InChIKey is RFNUKBRHOAZOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BF32/c22-5(23)13(38,39)17(46,47)9(30,31)1-21(2-10(32,33)18(48,49)14(40,41)6(24)25,3-11(34,35)19(50,51)15(42,43)7(26)27)4-12(36,37)20(52,53)16(44,45)8(28)29/h5-8H,1-4H2/q-1.
What are the key properties of tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide?
tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide has a molecular weight of 871.06 g/mol, XLogP of 12.12, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide is sourced from PubChem (CID 22465087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).