1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate

C10H13F6NO2 — CID 59012979

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate
SMILESO=C(CN1CCCCC1)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO2/c11-9(12,13)8(10(14,15)16)19-7(18)6-17-4-2-1-3-5-17/h8H,1-6H2
InChIKeyQRCRCCYERWRYQR-UHFFFAOYSA-N
MW293.21 g/mol
LogP2.51
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate

1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate (PubChem CID 59012979) has the molecular formula C10H13F6NO2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate
PubChem CID59012979
Molecular FormulaC10H13F6NO2
Molecular Weight293.21 g/mol
Exact Mass293.09
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate
SMILESO=C(CN1CCCCC1)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO2/c11-9(12,13)8(10(14,15)16)19-7(18)6-17-4-2-1-3-5-17/h8H,1-6H2
InChIKeyQRCRCCYERWRYQR-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate 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 1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate (CID 59012979) is 1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate is O=C(CN1CCCCC1)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate?
The InChIKey is QRCRCCYERWRYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO2/c11-9(12,13)8(10(14,15)16)19-7(18)6-17-4-2-1-3-5-17/h8H,1-6H2.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate?
1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate has a molecular weight of 293.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-piperidin-1-ylacetate is sourced from PubChem (CID 59012979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).