1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one

C11H18F3NO2 — CID 79538618

IUPAC1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CCOC(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-9(16)8-10-4-2-3-5-15(10)6-7-17-11(12,13)14/h10H,2-8H2,1H3
InChIKeyCXZGZFGEMRDYIU-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.36
Rot. Bonds5

About 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one

1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one (PubChem CID 79538618) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one
PubChem CID79538618
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CCOC(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-9(16)8-10-4-2-3-5-15(10)6-7-17-11(12,13)14/h10H,2-8H2,1H3
InChIKeyCXZGZFGEMRDYIU-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one (CID 79538618) is 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1CCOC(F)(F)F.
What is the InChIKey of 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one?
The InChIKey is CXZGZFGEMRDYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-9(16)8-10-4-2-3-5-15(10)6-7-17-11(12,13)14/h10H,2-8H2,1H3.
What are the key properties of 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one?
1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one has a molecular weight of 253.26 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79538618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).