4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one

C16H11F5N2O2 — CID 123765753

IUPAC4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one
SMILESCC(=O)CC(F)(c1[nH]nc2cccc(-c3ccc(F)o3)c12)C(F)(F)F
InChIInChI=1S/C16H11F5N2O2/c1-8(24)7-15(18,16(19,20)21)14-13-9(11-5-6-12(17)25-11)3-2-4-10(13)22-23-14/h2-6H,7H2,1H3,(H,22,23)
InChIKeyYCNDTYYPAZTKOL-UHFFFAOYSA-N
MW358.27 g/mol
LogP4.67
Rot. Bonds4

About 4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one

4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one (PubChem CID 123765753) has the molecular formula C16H11F5N2O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one
PubChem CID123765753
Molecular FormulaC16H11F5N2O2
Molecular Weight358.27 g/mol
Exact Mass358.07
IUPAC Name4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one
SMILESCC(=O)CC(F)(c1[nH]nc2cccc(-c3ccc(F)o3)c12)C(F)(F)F
InChIInChI=1S/C16H11F5N2O2/c1-8(24)7-15(18,16(19,20)21)14-13-9(11-5-6-12(17)25-11)3-2-4-10(13)22-23-14/h2-6H,7H2,1H3,(H,22,23)
InChIKeyYCNDTYYPAZTKOL-UHFFFAOYSA-N
XLogP4.67
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one?
The IUPAC name of 4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one (CID 123765753) is 4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one.
What is the SMILES notation for 4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one?
The canonical SMILES for 4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one is CC(=O)CC(F)(c1[nH]nc2cccc(-c3ccc(F)o3)c12)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one?
The InChIKey is YCNDTYYPAZTKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2O2/c1-8(24)7-15(18,16(19,20)21)14-13-9(11-5-6-12(17)25-11)3-2-4-10(13)22-23-14/h2-6H,7H2,1H3,(H,22,23).
What are the key properties of 4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one?
4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one has a molecular weight of 358.27 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one is sourced from PubChem (CID 123765753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).