2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone

C15H8F4N2O — CID 155424830

IUPAC2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone
SMILESO=C(c1ccc(-c2n[nH]c3cc(F)ccc23)cc1)C(F)(F)F
InChIInChI=1S/C15H8F4N2O/c16-10-5-6-11-12(7-10)20-21-13(11)8-1-3-9(4-2-8)14(22)15(17,18)19/h1-7H,(H,20,21)
InChIKeyNMZLZECAAYUSPH-UHFFFAOYSA-N
MW308.23 g/mol
LogP4.11
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone

2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone (PubChem CID 155424830) has the molecular formula C15H8F4N2O and a molecular weight of 308.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone
PubChem CID155424830
Molecular FormulaC15H8F4N2O
Molecular Weight308.23 g/mol
Exact Mass308.06
IUPAC Name2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone
SMILESO=C(c1ccc(-c2n[nH]c3cc(F)ccc23)cc1)C(F)(F)F
InChIInChI=1S/C15H8F4N2O/c16-10-5-6-11-12(7-10)20-21-13(11)8-1-3-9(4-2-8)14(22)15(17,18)19/h1-7H,(H,20,21)
InChIKeyNMZLZECAAYUSPH-UHFFFAOYSA-N
XLogP4.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone (CID 155424830) is 2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone is O=C(c1ccc(-c2n[nH]c3cc(F)ccc23)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone?
The InChIKey is NMZLZECAAYUSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2O/c16-10-5-6-11-12(7-10)20-21-13(11)8-1-3-9(4-2-8)14(22)15(17,18)19/h1-7H,(H,20,21).
What are the key properties of 2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone?
2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone has a molecular weight of 308.23 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone is sourced from PubChem (CID 155424830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).