2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide

C9H5F4N3O — CID 110470956

IUPAC2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide
SMILESO=C(Nc1n[nH]c2cccc(F)c12)C(F)(F)F
InChIInChI=1S/C9H5F4N3O/c10-4-2-1-3-5-6(4)7(16-15-5)14-8(17)9(11,12)13/h1-3H,(H2,14,15,16,17)
InChIKeyNMKJYNAUNHROLF-UHFFFAOYSA-N
MW247.15 g/mol
LogP2.20
Rot. Bonds1

About 2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide

2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide (PubChem CID 110470956) has the molecular formula C9H5F4N3O and a molecular weight of 247.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide
PubChem CID110470956
Molecular FormulaC9H5F4N3O
Molecular Weight247.15 g/mol
Exact Mass247.04
IUPAC Name2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide
SMILESO=C(Nc1n[nH]c2cccc(F)c12)C(F)(F)F
InChIInChI=1S/C9H5F4N3O/c10-4-2-1-3-5-6(4)7(16-15-5)14-8(17)9(11,12)13/h1-3H,(H2,14,15,16,17)
InChIKeyNMKJYNAUNHROLF-UHFFFAOYSA-N
XLogP2.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate
CID 110472442
N-(4-fluoro-1H-indazol-3-yl)cyclopropanecarboxamide
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N-(4-fluoro-1H-indazol-3-yl)but-2-enamide
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N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide
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N-(4-fluoro-1H-indazol-3-yl)pyrazine-2-carboxamide
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N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride
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N-(4-fluoro-1H-indazol-3-yl)-3-methylfuran-2-carboxamide
CID 51102710
5-fluoro-4-oxo-1H-cinnoline-3-carboxylic acid
CID 21467007
N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 47090311
N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide
CID 134581072
N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
CID 155963071
2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide
CID 150768226

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide (CID 110470956) is 2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide is O=C(Nc1n[nH]c2cccc(F)c12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide?
The InChIKey is NMKJYNAUNHROLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F4N3O/c10-4-2-1-3-5-6(4)7(16-15-5)14-8(17)9(11,12)13/h1-3H,(H2,14,15,16,17).
What are the key properties of 2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide?
2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide has a molecular weight of 247.15 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide is sourced from PubChem (CID 110470956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).