2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone

C14H16F4N2O2 — CID 66591546

IUPAC2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(Oc2cc(C(F)(F)F)ccc2F)CC1
InChIInChI=1S/C14H16F4N2O2/c15-11-2-1-9(14(16,17)18)7-12(11)22-10-3-5-20(6-4-10)13(21)8-19/h1-2,7,10H,3-6,8,19H2
InChIKeyVYABPSLVTRJVDE-UHFFFAOYSA-N
MW320.29 g/mol
LogP2.17
Rot. Bonds3

About 2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone

2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone (PubChem CID 66591546) has the molecular formula C14H16F4N2O2 and a molecular weight of 320.29 g/mol. Its IUPAC name is 2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
PubChem CID66591546
Molecular FormulaC14H16F4N2O2
Molecular Weight320.29 g/mol
Exact Mass320.11
IUPAC Name2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(Oc2cc(C(F)(F)F)ccc2F)CC1
InChIInChI=1S/C14H16F4N2O2/c15-11-2-1-9(14(16,17)18)7-12(11)22-10-3-5-20(6-4-10)13(21)8-19/h1-2,7,10H,3-6,8,19H2
InChIKeyVYABPSLVTRJVDE-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone (CID 66591546) is 2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone is NCC(=O)N1CCC(Oc2cc(C(F)(F)F)ccc2F)CC1.
What is the InChIKey of 2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The InChIKey is VYABPSLVTRJVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O2/c15-11-2-1-9(14(16,17)18)7-12(11)22-10-3-5-20(6-4-10)13(21)8-19/h1-2,7,10H,3-6,8,19H2.
What are the key properties of 2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone has a molecular weight of 320.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 66591546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).