1,1,2,2-tetrafluoropropylbenzene

C9H8F4 — CID 23233426

IUPAC1,1,2,2-tetrafluoropropylbenzene
SMILESCC(F)(F)C(F)(F)c1ccccc1
InChIInChI=1S/C9H8F4/c1-8(10,11)9(12,13)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyZYZICJODUDTKNH-UHFFFAOYSA-N
MW192.16 g/mol
LogP3.43
Rot. Bonds2

About 1,1,2,2-tetrafluoropropylbenzene

1,1,2,2-tetrafluoropropylbenzene (PubChem CID 23233426) has the molecular formula C9H8F4 and a molecular weight of 192.16 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoropropylbenzene.

Molecular Properties

Compound Name1,1,2,2-tetrafluoropropylbenzene
PubChem CID23233426
Molecular FormulaC9H8F4
Molecular Weight192.16 g/mol
Exact Mass192.06
IUPAC Name1,1,2,2-tetrafluoropropylbenzene
SMILESCC(F)(F)C(F)(F)c1ccccc1
InChIInChI=1S/C9H8F4/c1-8(10,11)9(12,13)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyZYZICJODUDTKNH-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 53.43
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 1,1,2,2-tetrafluoropropylbenzene?
The IUPAC name of 1,1,2,2-tetrafluoropropylbenzene (CID 23233426) is 1,1,2,2-tetrafluoropropylbenzene.
What is the SMILES notation for 1,1,2,2-tetrafluoropropylbenzene?
The canonical SMILES for 1,1,2,2-tetrafluoropropylbenzene is CC(F)(F)C(F)(F)c1ccccc1.
What is the InChIKey of 1,1,2,2-tetrafluoropropylbenzene?
The InChIKey is ZYZICJODUDTKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4/c1-8(10,11)9(12,13)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 1,1,2,2-tetrafluoropropylbenzene?
1,1,2,2-tetrafluoropropylbenzene has a molecular weight of 192.16 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoropropylbenzene is sourced from PubChem (CID 23233426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).