ethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide

C10H18F3N3O — CID 177229956

IUPACethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide
SMILESCC.CC.Cn1ccc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O.2C2H6/c1-12-3-2-4(11-12)10-5(13)6(7,8)9;2*1-2/h2-3H,1H3,(H,10,11,13);2*1-2H3
InChIKeyMYFFAXSCHHECLJ-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.97
Rot. Bonds1

About ethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide

ethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 177229956) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID177229956
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Nameethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide
SMILESCC.CC.Cn1ccc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O.2C2H6/c1-12-3-2-4(11-12)10-5(13)6(7,8)9;2*1-2/h2-3H,1H3,(H,10,11,13);2*1-2H3
InChIKeyMYFFAXSCHHECLJ-UHFFFAOYSA-N
XLogP2.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of ethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide (CID 177229956) is ethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for ethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for ethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide is CC.CC.Cn1ccc(NC(=O)C(F)(F)F)n1.
What is the InChIKey of ethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is MYFFAXSCHHECLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O.2C2H6/c1-12-3-2-4(11-12)10-5(13)6(7,8)9;2*1-2/h2-3H,1H3,(H,10,11,13);2*1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide?
ethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 253.27 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 177229956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).