1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene

C19HF15 — CID 14047948

IUPAC1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C19HF15/c20-5-2(6(21)12(27)17(32)11(5)26)1(3-7(22)13(28)18(33)14(29)8(3)23)4-9(24)15(30)19(34)16(31)10(4)25/h1H
InChIKeyBUNRVRQQXIMBBK-UHFFFAOYSA-N
MW514.19 g/mol
LogP6.95
Rot. Bonds3

About 1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene

1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene (PubChem CID 14047948) has the molecular formula C19HF15 and a molecular weight of 514.19 g/mol. Its IUPAC name is 1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
PubChem CID14047948
Molecular FormulaC19HF15
Molecular Weight514.19 g/mol
Exact Mass513.98
IUPAC Name1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C19HF15/c20-5-2(6(21)12(27)17(32)11(5)26)1(3-7(22)13(28)18(33)14(29)8(3)23)4-9(24)15(30)19(34)16(31)10(4)25/h1H
InChIKeyBUNRVRQQXIMBBK-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.19
LogP ≤ 56.95
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene (CID 14047948) is 1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(C(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene?
The InChIKey is BUNRVRQQXIMBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19HF15/c20-5-2(6(21)12(27)17(32)11(5)26)1(3-7(22)13(28)18(33)14(29)8(3)23)4-9(24)15(30)19(34)16(31)10(4)25/h1H.
What are the key properties of 1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene?
1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 514.19 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 14047948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).