5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one

C9H9F3O2 — CID 83172597

IUPAC5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1ccoc1
InChIInChI=1S/C9H9F3O2/c10-9(11,12)3-1-8(13)5-7-2-4-14-6-7/h2,4,6H,1,3,5H2
InChIKeyDBRUIDYHZZGYSG-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.73
Rot. Bonds4

About 5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one

5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one (PubChem CID 83172597) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one
PubChem CID83172597
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1ccoc1
InChIInChI=1S/C9H9F3O2/c10-9(11,12)3-1-8(13)5-7-2-4-14-6-7/h2,4,6H,1,3,5H2
InChIKeyDBRUIDYHZZGYSG-UHFFFAOYSA-N
XLogP2.73
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one?
The IUPAC name of 5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one (CID 83172597) is 5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one is O=C(CCC(F)(F)F)Cc1ccoc1.
What is the InChIKey of 5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one?
The InChIKey is DBRUIDYHZZGYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c10-9(11,12)3-1-8(13)5-7-2-4-14-6-7/h2,4,6H,1,3,5H2.
What are the key properties of 5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one?
5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one has a molecular weight of 206.16 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(furan-3-yl)pentan-2-one is sourced from PubChem (CID 83172597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).