1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene

C15H13F5 — CID 173093179

IUPAC1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene
SMILESCC1=C(C)C(C)C(c2c(F)c(F)c(F)c(F)c2F)=C1C
InChIInChI=1S/C15H13F5/c1-5-6(2)8(4)9(7(5)3)10-11(16)13(18)15(20)14(19)12(10)17/h7H,1-4H3
InChIKeyNTGTUTZYYJLBJZ-UHFFFAOYSA-N
MW288.26 g/mol
LogP5.14
Rot. Bonds1

About 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene

1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene (PubChem CID 173093179) has the molecular formula C15H13F5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene
PubChem CID173093179
Molecular FormulaC15H13F5
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene
SMILESCC1=C(C)C(C)C(c2c(F)c(F)c(F)c(F)c2F)=C1C
InChIInChI=1S/C15H13F5/c1-5-6(2)8(4)9(7(5)3)10-11(16)13(18)15(20)14(19)12(10)17/h7H,1-4H3
InChIKeyNTGTUTZYYJLBJZ-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 55.14
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 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene (CID 173093179) is 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene is CC1=C(C)C(C)C(c2c(F)c(F)c(F)c(F)c2F)=C1C.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene?
The InChIKey is NTGTUTZYYJLBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F5/c1-5-6(2)8(4)9(7(5)3)10-11(16)13(18)15(20)14(19)12(10)17/h7H,1-4H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene?
1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene has a molecular weight of 288.26 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene is sourced from PubChem (CID 173093179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).