2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide

C8H13F3N2O — CID 87823551

IUPAC2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCCN1NC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-6-4-2-3-5-13(6)12-7(14)8(9,10)11/h6H,2-5H2,1H3,(H,12,14)/t6-/m0/s1
InChIKeyZQHWCDLGDVGUAC-LURJTMIESA-N
MW210.20 g/mol
LogP1.45
Rot. Bonds1

About 2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide

2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide (PubChem CID 87823551) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide
PubChem CID87823551
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCCN1NC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-6-4-2-3-5-13(6)12-7(14)8(9,10)11/h6H,2-5H2,1H3,(H,12,14)/t6-/m0/s1
InChIKeyZQHWCDLGDVGUAC-LURJTMIESA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide (CID 87823551) is 2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide is C[C@H]1CCCCN1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is ZQHWCDLGDVGUAC-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-6-4-2-3-5-13(6)12-7(14)8(9,10)11/h6H,2-5H2,1H3,(H,12,14)/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide?
2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 210.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2S)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 87823551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).