2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide

C12H11F4NO3 — CID 15048252

IUPAC2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide
SMILESCC1(c2cc(NC(=O)C(F)(F)F)ccc2F)OCCO1
InChIInChI=1S/C12H11F4NO3/c1-11(19-4-5-20-11)8-6-7(2-3-9(8)13)17-10(18)12(14,15)16/h2-3,6H,4-5H2,1H3,(H,17,18)
InChIKeyFOFUSRFEEVDOCR-UHFFFAOYSA-N
MW293.22 g/mol
LogP2.55
Rot. Bonds2

About 2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide

2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide (PubChem CID 15048252) has the molecular formula C12H11F4NO3 and a molecular weight of 293.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide
PubChem CID15048252
Molecular FormulaC12H11F4NO3
Molecular Weight293.22 g/mol
Exact Mass293.07
IUPAC Name2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide
SMILESCC1(c2cc(NC(=O)C(F)(F)F)ccc2F)OCCO1
InChIInChI=1S/C12H11F4NO3/c1-11(19-4-5-20-11)8-6-7(2-3-9(8)13)17-10(18)12(14,15)16/h2-3,6H,4-5H2,1H3,(H,17,18)
InChIKeyFOFUSRFEEVDOCR-UHFFFAOYSA-N
XLogP2.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 52.55
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-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide (CID 15048252) is 2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide is CC1(c2cc(NC(=O)C(F)(F)F)ccc2F)OCCO1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide?
The InChIKey is FOFUSRFEEVDOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4NO3/c1-11(19-4-5-20-11)8-6-7(2-3-9(8)13)17-10(18)12(14,15)16/h2-3,6H,4-5H2,1H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide has a molecular weight of 293.22 g/mol, XLogP of 2.55, 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-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide is sourced from PubChem (CID 15048252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).