2,2,2-trifluoro-1-[(3S)-piperidin-3-yl]ethanone

C7H10F3NO — CID 95566428

IUPAC2,2,2-trifluoro-1-[(3S)-piperidin-3-yl]ethanone
SMILESO=C([C@H]1CCCNC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h5,11H,1-4H2/t5-/m0/s1
InChIKeyVZTJCRHBITYVKB-YFKPBYRVSA-N
MW181.16 g/mol
LogP1.12
Rot. Bonds1

About 2,2,2-trifluoro-1-[(3S)-piperidin-3-yl]ethanone

2,2,2-trifluoro-1-[(3S)-piperidin-3-yl]ethanone (PubChem CID 95566428) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(3S)-piperidin-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(3S)-piperidin-3-yl]ethanone
PubChem CID95566428
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2,2,2-trifluoro-1-[(3S)-piperidin-3-yl]ethanone
SMILESO=C([C@H]1CCCNC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h5,11H,1-4H2/t5-/m0/s1
InChIKeyVZTJCRHBITYVKB-YFKPBYRVSA-N
XLogP1.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.12
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-1-[(3S)-piperidin-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(3S)-piperidin-3-yl]ethanone (CID 95566428) is 2,2,2-trifluoro-1-[(3S)-piperidin-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(3S)-piperidin-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(3S)-piperidin-3-yl]ethanone is O=C([C@H]1CCCNC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(3S)-piperidin-3-yl]ethanone?
The InChIKey is VZTJCRHBITYVKB-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h5,11H,1-4H2/t5-/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(3S)-piperidin-3-yl]ethanone?
2,2,2-trifluoro-1-[(3S)-piperidin-3-yl]ethanone has a molecular weight of 181.16 g/mol, XLogP of 1.12, 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-1-[(3S)-piperidin-3-yl]ethanone is sourced from PubChem (CID 95566428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).