ethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate

C11H16F6N2O2 — CID 2729342

IUPACethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate
SMILESCCOC(=O)NC(N1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6N2O2/c1-2-21-8(20)18-9(10(12,13)14,11(15,16)17)19-6-4-3-5-7-19/h2-7H2,1H3,(H,18,20)
InChIKeyPYTVZBHRDYQZHD-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.04
Rot. Bonds3

About ethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate

ethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate (PubChem CID 2729342) has the molecular formula C11H16F6N2O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is ethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate
PubChem CID2729342
Molecular FormulaC11H16F6N2O2
Molecular Weight322.25 g/mol
Exact Mass322.11
IUPAC Nameethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate
SMILESCCOC(=O)NC(N1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6N2O2/c1-2-21-8(20)18-9(10(12,13)14,11(15,16)17)19-6-4-3-5-7-19/h2-7H2,1H3,(H,18,20)
InChIKeyPYTVZBHRDYQZHD-UHFFFAOYSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate?
The IUPAC name of ethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate (CID 2729342) is ethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate?
The canonical SMILES for ethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate is CCOC(=O)NC(N1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate?
The InChIKey is PYTVZBHRDYQZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N2O2/c1-2-21-8(20)18-9(10(12,13)14,11(15,16)17)19-6-4-3-5-7-19/h2-7H2,1H3,(H,18,20).
What are the key properties of ethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate?
ethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate has a molecular weight of 322.25 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate is sourced from PubChem (CID 2729342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).