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

C12H20F3NO2 — CID 79537548

IUPAC1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-10(17)8-11-4-2-3-5-16(11)6-7-18-9-12(13,14)15/h11H,2-9H2,1H3
InChIKeyQASHYVQRXZWZJD-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.40
Rot. Bonds6

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

1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one (PubChem CID 79537548) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one
PubChem CID79537548
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-10(17)8-11-4-2-3-5-16(11)6-7-18-9-12(13,14)15/h11H,2-9H2,1H3
InChIKeyQASHYVQRXZWZJD-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one (CID 79537548) is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1CCOCC(F)(F)F.
What is the InChIKey of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one?
The InChIKey is QASHYVQRXZWZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-10(17)8-11-4-2-3-5-16(11)6-7-18-9-12(13,14)15/h11H,2-9H2,1H3.
What are the key properties of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one?
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one has a molecular weight of 267.29 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79537548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).