2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline

C17H9F7N2 — CID 4232416

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline
SMILESFC(F)(F)C(F)(F)C(F)(F)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C17H9F7N2/c18-15(19,16(20,21)17(22,23)24)14-13(10-6-2-1-3-7-10)25-11-8-4-5-9-12(11)26-14/h1-9H
InChIKeyYSCIJIDFVAKDBE-UHFFFAOYSA-N
MW374.26 g/mol
LogP5.59
Rot. Bonds3

About 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline

2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline (PubChem CID 4232416) has the molecular formula C17H9F7N2 and a molecular weight of 374.26 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline
PubChem CID4232416
Molecular FormulaC17H9F7N2
Molecular Weight374.26 g/mol
Exact Mass374.07
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline
SMILESFC(F)(F)C(F)(F)C(F)(F)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C17H9F7N2/c18-15(19,16(20,21)17(22,23)24)14-13(10-6-2-1-3-7-10)25-11-8-4-5-9-12(11)26-14/h1-9H
InChIKeyYSCIJIDFVAKDBE-UHFFFAOYSA-N
XLogP5.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.26
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline (CID 4232416) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline is FC(F)(F)C(F)(F)C(F)(F)c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline?
The InChIKey is YSCIJIDFVAKDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F7N2/c18-15(19,16(20,21)17(22,23)24)14-13(10-6-2-1-3-7-10)25-11-8-4-5-9-12(11)26-14/h1-9H.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline?
2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline has a molecular weight of 374.26 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline is sourced from PubChem (CID 4232416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).