2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene

C11H10F6 — CID 169111339

IUPAC2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(F)(F)C(F)(F)F)cc1F
InChIInChI=1S/C11H10F6/c1-6(2)8-4-3-7(5-9(8)12)10(13,14)11(15,16)17/h3-6H,1-2H3
InChIKeyPNZOIFWBZHAXOP-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.60
Rot. Bonds2

About 2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene

2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene (PubChem CID 169111339) has the molecular formula C11H10F6 and a molecular weight of 256.19 g/mol. Its IUPAC name is 2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene
PubChem CID169111339
Molecular FormulaC11H10F6
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(F)(F)C(F)(F)F)cc1F
InChIInChI=1S/C11H10F6/c1-6(2)8-4-3-7(5-9(8)12)10(13,14)11(15,16)17/h3-6H,1-2H3
InChIKeyPNZOIFWBZHAXOP-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene?
The IUPAC name of 2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene (CID 169111339) is 2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene.
What is the SMILES notation for 2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene?
The canonical SMILES for 2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene is CC(C)c1ccc(C(F)(F)C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene?
The InChIKey is PNZOIFWBZHAXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6/c1-6(2)8-4-3-7(5-9(8)12)10(13,14)11(15,16)17/h3-6H,1-2H3.
What are the key properties of 2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene?
2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene has a molecular weight of 256.19 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene is sourced from PubChem (CID 169111339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).