1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene

C14H9F5 — CID 139366997

IUPAC1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene
SMILESFC(F)(F)C(F)(F)c1ccccc1-c1ccccc1
InChIInChI=1S/C14H9F5/c15-13(16,14(17,18)19)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeySHLNHFXOPOTBQI-UHFFFAOYSA-N
MW272.22 g/mol
LogP5.01
Rot. Bonds2

About 1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene

1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene (PubChem CID 139366997) has the molecular formula C14H9F5 and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene
PubChem CID139366997
Molecular FormulaC14H9F5
Molecular Weight272.22 g/mol
Exact Mass272.06
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene
SMILESFC(F)(F)C(F)(F)c1ccccc1-c1ccccc1
InChIInChI=1S/C14H9F5/c15-13(16,14(17,18)19)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeySHLNHFXOPOTBQI-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.22
LogP ≤ 55.01
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-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene (CID 139366997) is 1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene is FC(F)(F)C(F)(F)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene?
The InChIKey is SHLNHFXOPOTBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5/c15-13(16,14(17,18)19)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene?
1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene has a molecular weight of 272.22 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene is sourced from PubChem (CID 139366997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).