3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one

C7H10F3NO2 — CID 14436604

IUPAC3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(C(O)C(F)(F)F)N1CCCC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5(12)6(13)11-3-1-2-4-11/h5,12H,1-4H2
InChIKeyRQZXYWVKRSVBQX-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.53
Rot. Bonds1

About 3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one

3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 14436604) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID14436604
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(C(O)C(F)(F)F)N1CCCC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5(12)6(13)11-3-1-2-4-11/h5,12H,1-4H2
InChIKeyRQZXYWVKRSVBQX-UHFFFAOYSA-N
XLogP0.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one (CID 14436604) is 3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one is O=C(C(O)C(F)(F)F)N1CCCC1.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is RQZXYWVKRSVBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5(12)6(13)11-3-1-2-4-11/h5,12H,1-4H2.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 197.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 14436604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).