4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one

C6H8F3NO2 — CID 66713353

IUPAC4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one
SMILESO=C1CC([C@H](O)C(F)(F)F)CN1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(12)3-1-4(11)10-2-3/h3,5,12H,1-2H2,(H,10,11)/t3?,5-/m0/s1
InChIKeyNVPCYQJAIDNIJY-PVPKANODSA-N
MW183.13 g/mol
LogP0.05
Rot. Bonds1

About 4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one

4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one (PubChem CID 66713353) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one
PubChem CID66713353
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one
SMILESO=C1CC([C@H](O)C(F)(F)F)CN1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(12)3-1-4(11)10-2-3/h3,5,12H,1-2H2,(H,10,11)/t3?,5-/m0/s1
InChIKeyNVPCYQJAIDNIJY-PVPKANODSA-N
XLogP0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one (CID 66713353) is 4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one is O=C1CC([C@H](O)C(F)(F)F)CN1.
What is the InChIKey of 4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one?
The InChIKey is NVPCYQJAIDNIJY-PVPKANODSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)5(12)3-1-4(11)10-2-3/h3,5,12H,1-2H2,(H,10,11)/t3?,5-/m0/s1.
What are the key properties of 4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one?
4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one has a molecular weight of 183.13 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 66713353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).