1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene

C17H15F5 — CID 135058776

IUPAC1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene
SMILESCc1c(C)c(C)c(-c2c(F)c(F)c(F)c(F)c2F)c(C)c1C
InChIInChI=1S/C17H15F5/c1-6-7(2)9(4)11(10(5)8(6)3)12-13(18)15(20)17(22)16(21)14(12)19/h1-5H3
InChIKeyKOEOTBMAXSGLOP-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.59
Rot. Bonds1

About 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene

1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene (PubChem CID 135058776) has the molecular formula C17H15F5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene
PubChem CID135058776
Molecular FormulaC17H15F5
Molecular Weight314.30 g/mol
Exact Mass314.11
IUPAC Name1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene
SMILESCc1c(C)c(C)c(-c2c(F)c(F)c(F)c(F)c2F)c(C)c1C
InChIInChI=1S/C17H15F5/c1-6-7(2)9(4)11(10(5)8(6)3)12-13(18)15(20)17(22)16(21)14(12)19/h1-5H3
InChIKeyKOEOTBMAXSGLOP-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.59
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-(2,3,4,5,6-pentamethylphenyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene (CID 135058776) is 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene is Cc1c(C)c(C)c(-c2c(F)c(F)c(F)c(F)c2F)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene?
The InChIKey is KOEOTBMAXSGLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5/c1-6-7(2)9(4)11(10(5)8(6)3)12-13(18)15(20)17(22)16(21)14(12)19/h1-5H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene?
1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene has a molecular weight of 314.30 g/mol, XLogP of 5.59, 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-(2,3,4,5,6-pentamethylphenyl)benzene is sourced from PubChem (CID 135058776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).