2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate

C10H15F5N2O2 — CID 164642448

IUPAC2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate
SMILESCCN1CC[C@H](NC(=O)OCC(F)(F)F)C(F)(F)C1
InChIInChI=1S/C10H15F5N2O2/c1-2-17-4-3-7(9(11,12)5-17)16-8(18)19-6-10(13,14)15/h7H,2-6H2,1H3,(H,16,18)/t7-/m0/s1
InChIKeyLLHJIMQMWNHTSZ-ZETCQYMHSA-N
MW290.23 g/mol
LogP2.00
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate

2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate (PubChem CID 164642448) has the molecular formula C10H15F5N2O2 and a molecular weight of 290.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate
PubChem CID164642448
Molecular FormulaC10H15F5N2O2
Molecular Weight290.23 g/mol
Exact Mass290.11
IUPAC Name2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate
SMILESCCN1CC[C@H](NC(=O)OCC(F)(F)F)C(F)(F)C1
InChIInChI=1S/C10H15F5N2O2/c1-2-17-4-3-7(9(11,12)5-17)16-8(18)19-6-10(13,14)15/h7H,2-6H2,1H3,(H,16,18)/t7-/m0/s1
InChIKeyLLHJIMQMWNHTSZ-ZETCQYMHSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate (CID 164642448) is 2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate is CCN1CC[C@H](NC(=O)OCC(F)(F)F)C(F)(F)C1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate?
The InChIKey is LLHJIMQMWNHTSZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15F5N2O2/c1-2-17-4-3-7(9(11,12)5-17)16-8(18)19-6-10(13,14)15/h7H,2-6H2,1H3,(H,16,18)/t7-/m0/s1.
What are the key properties of 2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate?
2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate has a molecular weight of 290.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate is sourced from PubChem (CID 164642448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).