2,2,2-trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone

C6H8F3NO2 — CID 62916597

IUPAC2,2,2-trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(N1CCC(O)C1)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(12)10-2-1-4(11)3-10/h4,11H,1-3H2
InChIKeyZJCSEGXWNUZVNZ-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.14
Rot. Bonds

About 2,2,2-trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone

2,2,2-trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone (PubChem CID 62916597) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone
PubChem CID62916597
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name2,2,2-trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(N1CCC(O)C1)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(12)10-2-1-4(11)3-10/h4,11H,1-3H2
InChIKeyZJCSEGXWNUZVNZ-UHFFFAOYSA-N
XLogP0.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.14
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-(3-hydroxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone (CID 62916597) is 2,2,2-trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone is O=C(N1CCC(O)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The InChIKey is ZJCSEGXWNUZVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)5(12)10-2-1-4(11)3-10/h4,11H,1-3H2.
What are the key properties of 2,2,2-trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone has a molecular weight of 183.13 g/mol, XLogP of 0.14, 0 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-(3-hydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62916597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).