2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide

C16H13F8NO2 — CID 154349425

IUPAC2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide
SMILESCC1=C(NC(=O)C(F)(F)F)C(C)(C)Oc2ccc(C(F)(F)C(F)(F)F)cc21
InChIInChI=1S/C16H13F8NO2/c1-7-9-6-8(14(17,18)16(22,23)24)4-5-10(9)27-13(2,3)11(7)25-12(26)15(19,20)21/h4-6H,1-3H3,(H,25,26)
InChIKeyGWPQEXWPYTVGQK-UHFFFAOYSA-N
MW403.27 g/mol
LogP4.92
Rot. Bonds2

About 2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide

2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide (PubChem CID 154349425) has the molecular formula C16H13F8NO2 and a molecular weight of 403.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide
PubChem CID154349425
Molecular FormulaC16H13F8NO2
Molecular Weight403.27 g/mol
Exact Mass403.08
IUPAC Name2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide
SMILESCC1=C(NC(=O)C(F)(F)F)C(C)(C)Oc2ccc(C(F)(F)C(F)(F)F)cc21
InChIInChI=1S/C16H13F8NO2/c1-7-9-6-8(14(17,18)16(22,23)24)4-5-10(9)27-13(2,3)11(7)25-12(26)15(19,20)21/h4-6H,1-3H3,(H,25,26)
InChIKeyGWPQEXWPYTVGQK-UHFFFAOYSA-N
XLogP4.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide (CID 154349425) is 2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide is CC1=C(NC(=O)C(F)(F)F)C(C)(C)Oc2ccc(C(F)(F)C(F)(F)F)cc21.
What is the InChIKey of 2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide?
The InChIKey is GWPQEXWPYTVGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F8NO2/c1-7-9-6-8(14(17,18)16(22,23)24)4-5-10(9)27-13(2,3)11(7)25-12(26)15(19,20)21/h4-6H,1-3H3,(H,25,26).
What are the key properties of 2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide?
2,2,2-trifluoro-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide has a molecular weight of 403.27 g/mol, XLogP of 4.92, 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-N-[2,2,4-trimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]acetamide is sourced from PubChem (CID 154349425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).