1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone

C7H10F3NO — CID 130693743

IUPAC1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-5(12)11-4-2-3-6(11)7(8,9)10/h6H,2-4H2,1H3/t6-/m0/s1
InChIKeyHOYDAUIFFFXJOF-LURJTMIESA-N
MW181.16 g/mol
LogP1.56
Rot. Bonds

About 1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone

1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone (PubChem CID 130693743) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
PubChem CID130693743
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-5(12)11-4-2-3-6(11)7(8,9)10/h6H,2-4H2,1H3/t6-/m0/s1
InChIKeyHOYDAUIFFFXJOF-LURJTMIESA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone (CID 130693743) is 1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@H]1C(F)(F)F.
What is the InChIKey of 1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is HOYDAUIFFFXJOF-LURJTMIESA-N. The full InChI is InChI=1S/C7H10F3NO/c1-5(12)11-4-2-3-6(11)7(8,9)10/h6H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 181.16 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 130693743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).