2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone

C16H16F4N2O2 — CID 110725162

IUPAC2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCc2cccc(F)c21
InChIInChI=1S/C16H16F4N2O2/c17-12-3-1-2-10-6-9-22(13(10)12)14(23)11-4-7-21(8-5-11)15(24)16(18,19)20/h1-3,11H,4-9H2
InChIKeyVIMOVCUMSCGIAV-UHFFFAOYSA-N
MW344.31 g/mol
LogP2.52
Rot. Bonds1

About 2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 110725162) has the molecular formula C16H16F4N2O2 and a molecular weight of 344.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID110725162
Molecular FormulaC16H16F4N2O2
Molecular Weight344.31 g/mol
Exact Mass344.11
IUPAC Name2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCc2cccc(F)c21
InChIInChI=1S/C16H16F4N2O2/c17-12-3-1-2-10-6-9-22(13(10)12)14(23)11-4-7-21(8-5-11)15(24)16(18,19)20/h1-3,11H,4-9H2
InChIKeyVIMOVCUMSCGIAV-UHFFFAOYSA-N
XLogP2.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone (CID 110725162) is 2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone is O=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCc2cccc(F)c21.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is VIMOVCUMSCGIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N2O2/c17-12-3-1-2-10-6-9-22(13(10)12)14(23)11-4-7-21(8-5-11)15(24)16(18,19)20/h1-3,11H,4-9H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 344.31 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110725162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).