1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one

C14H11F3O2S — CID 2824498

IUPAC1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one
SMILESO=C(CCSc1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C14H11F3O2S/c15-14(16,17)10-3-5-11(6-4-10)20-9-7-12(18)13-2-1-8-19-13/h1-6,8H,7,9H2
InChIKeyWJPJSYJLHVZYHX-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.66
Rot. Bonds5

About 1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one

1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one (PubChem CID 2824498) has the molecular formula C14H11F3O2S and a molecular weight of 300.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one
PubChem CID2824498
Molecular FormulaC14H11F3O2S
Molecular Weight300.30 g/mol
Exact Mass300.04
IUPAC Name1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one
SMILESO=C(CCSc1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C14H11F3O2S/c15-14(16,17)10-3-5-11(6-4-10)20-9-7-12(18)13-2-1-8-19-13/h1-6,8H,7,9H2
InChIKeyWJPJSYJLHVZYHX-UHFFFAOYSA-N
XLogP4.66
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one?
The IUPAC name of 1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one (CID 2824498) is 1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one.
What is the SMILES notation for 1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one?
The canonical SMILES for 1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one is O=C(CCSc1ccc(C(F)(F)F)cc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one?
The InChIKey is WJPJSYJLHVZYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2S/c15-14(16,17)10-3-5-11(6-4-10)20-9-7-12(18)13-2-1-8-19-13/h1-6,8H,7,9H2.
What are the key properties of 1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one?
1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one has a molecular weight of 300.30 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylpropan-1-one is sourced from PubChem (CID 2824498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).