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

C15H11F5 — CID 10401721

IUPAC1,2,3,4,5-pentafluoro-6-(4-propan-2-ylphenyl)benzene
SMILESCC(C)c1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H11F5/c1-7(2)8-3-5-9(6-4-8)10-11(16)13(18)15(20)14(19)12(10)17/h3-7H,1-2H3
InChIKeyQAHXCNAHKLDSOD-UHFFFAOYSA-N
MW286.24 g/mol
LogP5.17
Rot. Bonds2

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

1,2,3,4,5-pentafluoro-6-(4-propan-2-ylphenyl)benzene (PubChem CID 10401721) has the molecular formula C15H11F5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(4-propan-2-ylphenyl)benzene
PubChem CID10401721
Molecular FormulaC15H11F5
Molecular Weight286.24 g/mol
Exact Mass286.08
IUPAC Name1,2,3,4,5-pentafluoro-6-(4-propan-2-ylphenyl)benzene
SMILESCC(C)c1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H11F5/c1-7(2)8-3-5-9(6-4-8)10-11(16)13(18)15(20)14(19)12(10)17/h3-7H,1-2H3
InChIKeyQAHXCNAHKLDSOD-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.24
LogP ≤ 55.17
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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Related Compounds

Biphenyl
CID 7095
P-Cymene
CID 7463
Cumene
CID 7406
1,4-Diethylbenzene
CID 7734
4-Methylbiphenyl
CID 12566
p-alpha-Dimethyl styrene
CID 62385
Curcumene
CID 92139
Diphenylmethane
CID 7580
Dibenzyl
CID 7647
Sec-Butylbenzene
CID 8680
4-Phenylcyclohexene
CID 21096
1,4-Diisopropylbenzene
CID 7486

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(4-propan-2-ylphenyl)benzene (CID 10401721) is 1,2,3,4,5-pentafluoro-6-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(4-propan-2-ylphenyl)benzene is CC(C)c1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(4-propan-2-ylphenyl)benzene?
The InChIKey is QAHXCNAHKLDSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5/c1-7(2)8-3-5-9(6-4-8)10-11(16)13(18)15(20)14(19)12(10)17/h3-7H,1-2H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(4-propan-2-ylphenyl)benzene?
1,2,3,4,5-pentafluoro-6-(4-propan-2-ylphenyl)benzene has a molecular weight of 286.24 g/mol, XLogP of 5.17, 2 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-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 10401721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).