2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide

C12H12F3NO3 — CID 15048253

IUPAC2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide
SMILESCC1(c2cccc(NC(=O)C(F)(F)F)c2)OCCO1
InChIInChI=1S/C12H12F3NO3/c1-11(18-5-6-19-11)8-3-2-4-9(7-8)16-10(17)12(13,14)15/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKeyPPNKMIFGGCGWFS-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.41
Rot. Bonds2

About 2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide

2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide (PubChem CID 15048253) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide
PubChem CID15048253
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide
SMILESCC1(c2cccc(NC(=O)C(F)(F)F)c2)OCCO1
InChIInChI=1S/C12H12F3NO3/c1-11(18-5-6-19-11)8-3-2-4-9(7-8)16-10(17)12(13,14)15/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKeyPPNKMIFGGCGWFS-UHFFFAOYSA-N
XLogP2.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide (CID 15048253) is 2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide is CC1(c2cccc(NC(=O)C(F)(F)F)c2)OCCO1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide?
The InChIKey is PPNKMIFGGCGWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-11(18-5-6-19-11)8-3-2-4-9(7-8)16-10(17)12(13,14)15/h2-4,7H,5-6H2,1H3,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide has a molecular weight of 275.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide is sourced from PubChem (CID 15048253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).