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

C7H10F3NO — CID 95566429

IUPAC2,2,2-trifluoro-1-[(3R)-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-/m1/s1
InChIKeyVZTJCRHBITYVKB-RXMQYKEDSA-N
MW181.16 g/mol
LogP1.12
Rot. Bonds1

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

2,2,2-trifluoro-1-[(3R)-piperidin-3-yl]ethanone (PubChem CID 95566429) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(3R)-piperidin-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(3R)-piperidin-3-yl]ethanone
PubChem CID95566429
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2,2,2-trifluoro-1-[(3R)-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-/m1/s1
InChIKeyVZTJCRHBITYVKB-RXMQYKEDSA-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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Related Compounds

1-(Piperidin-3-yl)ethan-1-one
CID 21909488
1-(Piperidin-3-yl)propan-1-one
CID 45791038
2,2,2-Trifluoro-1-(piperidin-3-yl)ethan-1-one hydrochloride
CID 134692018
1-(Piperidin-4-yl)propan-2-one
CID 3019492
3-Acetyl-4-piperidone
CID 20594166
2,2,2-Trifluoro-1-(piperidin-4-yl)ethan-1-one
CID 45257662
2,2,2-Trifluoro-1-(piperidin-3-YL)ethanone
CID 49759204
N-(trifluoromethyl)piperidine-3-carboxamide
CID 67413083
3-Amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one
CID 69199406
4-(Trifluoroacetyl)piperidine hydrochloride
CID 71299628
3-(Trifluoromethyl)piperidin-4-one
CID 83670237
5,5-Difluoropiperidine-3-carboxamide
CID 84074547

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(3R)-piperidin-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(3R)-piperidin-3-yl]ethanone (CID 95566429) is 2,2,2-trifluoro-1-[(3R)-piperidin-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(3R)-piperidin-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(3R)-piperidin-3-yl]ethanone is O=C([C@@H]1CCCNC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(3R)-piperidin-3-yl]ethanone?
The InChIKey is VZTJCRHBITYVKB-RXMQYKEDSA-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-/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[(3R)-piperidin-3-yl]ethanone?
2,2,2-trifluoro-1-[(3R)-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-[(3R)-piperidin-3-yl]ethanone is sourced from PubChem (CID 95566429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).