1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene

C17H10F10 — CID 87435806

IUPAC1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene
SMILESCC(C)(C)C(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H10F10/c1-17(2,3)6(4-7(18)11(22)15(26)12(23)8(4)19)5-9(20)13(24)16(27)14(25)10(5)21/h6H,1-3H3
InChIKeyUTHRTXHYRQPDMX-UHFFFAOYSA-N
MW404.25 g/mol
LogP6.26
Rot. Bonds2

About 1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene

1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene (PubChem CID 87435806) has the molecular formula C17H10F10 and a molecular weight of 404.25 g/mol. Its IUPAC name is 1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene
PubChem CID87435806
Molecular FormulaC17H10F10
Molecular Weight404.25 g/mol
Exact Mass404.06
IUPAC Name1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene
SMILESCC(C)(C)C(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H10F10/c1-17(2,3)6(4-7(18)11(22)15(26)12(23)8(4)19)5-9(20)13(24)16(27)14(25)10(5)21/h6H,1-3H3
InChIKeyUTHRTXHYRQPDMX-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.25
LogP ≤ 56.26
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene (CID 87435806) is 1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene is CC(C)(C)C(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene?
The InChIKey is UTHRTXHYRQPDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F10/c1-17(2,3)6(4-7(18)11(22)15(26)12(23)8(4)19)5-9(20)13(24)16(27)14(25)10(5)21/h6H,1-3H3.
What are the key properties of 1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene?
1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 404.25 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)propyl]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 87435806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).