5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan

C15H9F3O2 — CID 155930257

IUPAC5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan
SMILESFC(F)(F)c1cc(-c2ccco2)oc1-c1ccccc1
InChIInChI=1S/C15H9F3O2/c16-15(17,18)11-9-13(12-7-4-8-19-12)20-14(11)10-5-2-1-3-6-10/h1-9H
InChIKeyYPXPCDBWEMSJMG-UHFFFAOYSA-N
MW278.23 g/mol
LogP5.23
Rot. Bonds2

About 5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan

5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan (PubChem CID 155930257) has the molecular formula C15H9F3O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan.

Molecular Properties

Compound Name5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan
PubChem CID155930257
Molecular FormulaC15H9F3O2
Molecular Weight278.23 g/mol
Exact Mass278.06
IUPAC Name5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan
SMILESFC(F)(F)c1cc(-c2ccco2)oc1-c1ccccc1
InChIInChI=1S/C15H9F3O2/c16-15(17,18)11-9-13(12-7-4-8-19-12)20-14(11)10-5-2-1-3-6-10/h1-9H
InChIKeyYPXPCDBWEMSJMG-UHFFFAOYSA-N
XLogP5.23
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.23
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan?
The IUPAC name of 5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan (CID 155930257) is 5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan.
What is the SMILES notation for 5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan?
The canonical SMILES for 5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan is FC(F)(F)c1cc(-c2ccco2)oc1-c1ccccc1.
What is the InChIKey of 5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan?
The InChIKey is YPXPCDBWEMSJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O2/c16-15(17,18)11-9-13(12-7-4-8-19-12)20-14(11)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan?
5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan has a molecular weight of 278.23 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-phenyl-3-(trifluoromethyl)furan is sourced from PubChem (CID 155930257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).