1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone

C9H12F5NO2 — CID 141335242

IUPAC1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCCC(OCC(F)F)C1)C(F)(F)F
InChIInChI=1S/C9H12F5NO2/c10-7(11)5-17-6-2-1-3-15(4-6)8(16)9(12,13)14/h6-7H,1-5H2
InChIKeyYJDSFGIUNNMJQI-UHFFFAOYSA-N
MW261.19 g/mol
LogP1.82
Rot. Bonds3

About 1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 141335242) has the molecular formula C9H12F5NO2 and a molecular weight of 261.19 g/mol. Its IUPAC name is 1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID141335242
Molecular FormulaC9H12F5NO2
Molecular Weight261.19 g/mol
Exact Mass261.08
IUPAC Name1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCCC(OCC(F)F)C1)C(F)(F)F
InChIInChI=1S/C9H12F5NO2/c10-7(11)5-17-6-2-1-3-15(4-6)8(16)9(12,13)14/h6-7H,1-5H2
InChIKeyYJDSFGIUNNMJQI-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 141335242) is 1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone is O=C(N1CCCC(OCC(F)F)C1)C(F)(F)F.
What is the InChIKey of 1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is YJDSFGIUNNMJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO2/c10-7(11)5-17-6-2-1-3-15(4-6)8(16)9(12,13)14/h6-7H,1-5H2.
What are the key properties of 1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 261.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluoroethoxy)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 141335242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).