2,2-difluoroethyl N-piperidin-4-ylcarbamate

C8H14F2N2O2 — CID 130194753

IUPAC2,2-difluoroethyl N-piperidin-4-ylcarbamate
SMILESO=C(NC1CCNCC1)OCC(F)F
InChIInChI=1S/C8H14F2N2O2/c9-7(10)5-14-8(13)12-6-1-3-11-4-2-6/h6-7,11H,1-5H2,(H,12,13)
InChIKeyKHJXOVGJYNZGBM-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.73
Rot. Bonds3

About 2,2-difluoroethyl N-piperidin-4-ylcarbamate

2,2-difluoroethyl N-piperidin-4-ylcarbamate (PubChem CID 130194753) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2,2-difluoroethyl N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Name2,2-difluoroethyl N-piperidin-4-ylcarbamate
PubChem CID130194753
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name2,2-difluoroethyl N-piperidin-4-ylcarbamate
SMILESO=C(NC1CCNCC1)OCC(F)F
InChIInChI=1S/C8H14F2N2O2/c9-7(10)5-14-8(13)12-6-1-3-11-4-2-6/h6-7,11H,1-5H2,(H,12,13)
InChIKeyKHJXOVGJYNZGBM-UHFFFAOYSA-N
XLogP0.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl N-piperidin-4-ylcarbamate?
The IUPAC name of 2,2-difluoroethyl N-piperidin-4-ylcarbamate (CID 130194753) is 2,2-difluoroethyl N-piperidin-4-ylcarbamate.
What is the SMILES notation for 2,2-difluoroethyl N-piperidin-4-ylcarbamate?
The canonical SMILES for 2,2-difluoroethyl N-piperidin-4-ylcarbamate is O=C(NC1CCNCC1)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl N-piperidin-4-ylcarbamate?
The InChIKey is KHJXOVGJYNZGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-7(10)5-14-8(13)12-6-1-3-11-4-2-6/h6-7,11H,1-5H2,(H,12,13).
What are the key properties of 2,2-difluoroethyl N-piperidin-4-ylcarbamate?
2,2-difluoroethyl N-piperidin-4-ylcarbamate has a molecular weight of 208.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl N-piperidin-4-ylcarbamate is sourced from PubChem (CID 130194753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).