1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one

C13H8F4O2 — CID 107645707

IUPAC1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C13H8F4O2/c1-6(18)4-7-2-3-10(19-7)11-12(16)8(14)5-9(15)13(11)17/h2-3,5H,4H2,1H3
InChIKeyJWTNSXTYWOVXEH-UHFFFAOYSA-N
MW272.20 g/mol
LogP3.63
Rot. Bonds3

About 1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one

1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one (PubChem CID 107645707) has the molecular formula C13H8F4O2 and a molecular weight of 272.20 g/mol. Its IUPAC name is 1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one
PubChem CID107645707
Molecular FormulaC13H8F4O2
Molecular Weight272.20 g/mol
Exact Mass272.05
IUPAC Name1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C13H8F4O2/c1-6(18)4-7-2-3-10(19-7)11-12(16)8(14)5-9(15)13(11)17/h2-3,5H,4H2,1H3
InChIKeyJWTNSXTYWOVXEH-UHFFFAOYSA-N
XLogP3.63
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one?
The IUPAC name of 1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one (CID 107645707) is 1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one?
The canonical SMILES for 1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one is CC(=O)Cc1ccc(-c2c(F)c(F)cc(F)c2F)o1.
What is the InChIKey of 1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one?
The InChIKey is JWTNSXTYWOVXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4O2/c1-6(18)4-7-2-3-10(19-7)11-12(16)8(14)5-9(15)13(11)17/h2-3,5H,4H2,1H3.
What are the key properties of 1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one?
1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one has a molecular weight of 272.20 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one is sourced from PubChem (CID 107645707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).