1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene

C9HF11 — CID 5132971

IUPAC1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene
SMILESFc1cc(F)c(F)c(C(F)(F)C(F)(F)C(F)(F)F)c1F
InChIInChI=1S/C9HF11/c10-2-1-3(11)6(13)4(5(2)12)7(14,15)8(16,17)9(18,19)20/h1H
InChIKeyRUCXHAOMVXFEPD-UHFFFAOYSA-N
MW318.09 g/mol
LogP4.53
Rot. Bonds2

About 1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene

1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene (PubChem CID 5132971) has the molecular formula C9HF11 and a molecular weight of 318.09 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene
PubChem CID5132971
Molecular FormulaC9HF11
Molecular Weight318.09 g/mol
Exact Mass317.99
IUPAC Name1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene
SMILESFc1cc(F)c(F)c(C(F)(F)C(F)(F)C(F)(F)F)c1F
InChIInChI=1S/C9HF11/c10-2-1-3(11)6(13)4(5(2)12)7(14,15)8(16,17)9(18,19)20/h1H
InChIKeyRUCXHAOMVXFEPD-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.09
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene (CID 5132971) is 1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene is Fc1cc(F)c(F)c(C(F)(F)C(F)(F)C(F)(F)F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene?
The InChIKey is RUCXHAOMVXFEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9HF11/c10-2-1-3(11)6(13)4(5(2)12)7(14,15)8(16,17)9(18,19)20/h1H.
What are the key properties of 1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene?
1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene has a molecular weight of 318.09 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene is sourced from PubChem (CID 5132971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).