furan-2-yl-[4-(trifluoromethyl)phenyl]methanone

C12H7F3O2 — CID 16752339

IUPACfuran-2-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C12H7F3O2/c13-12(14,15)9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h1-7H
InChIKeyXYRRDGDUBUBOFC-UHFFFAOYSA-N
MW240.18 g/mol
LogP3.53
Rot. Bonds2

About furan-2-yl-[4-(trifluoromethyl)phenyl]methanone

furan-2-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 16752339) has the molecular formula C12H7F3O2 and a molecular weight of 240.18 g/mol. Its IUPAC name is furan-2-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID16752339
Molecular FormulaC12H7F3O2
Molecular Weight240.18 g/mol
Exact Mass240.04
IUPAC Namefuran-2-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C12H7F3O2/c13-12(14,15)9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h1-7H
InChIKeyXYRRDGDUBUBOFC-UHFFFAOYSA-N
XLogP3.53
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of furan-2-yl-[4-(trifluoromethyl)phenyl]methanone (CID 16752339) is furan-2-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for furan-2-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for furan-2-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1ccco1.
What is the InChIKey of furan-2-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is XYRRDGDUBUBOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O2/c13-12(14,15)9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h1-7H.
What are the key properties of furan-2-yl-[4-(trifluoromethyl)phenyl]methanone?
furan-2-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 240.18 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 16752339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).