3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one

C11H10F3NO2 — CID 166644547

IUPAC3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one
SMILESO=C1NCCC1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)7-1-3-8(4-2-7)17-9-5-6-15-10(9)16/h1-4,9H,5-6H2,(H,15,16)
InChIKeyHKKGMJIOODHCMV-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.97
Rot. Bonds2

About 3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one

3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one (PubChem CID 166644547) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one
PubChem CID166644547
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one
SMILESO=C1NCCC1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)7-1-3-8(4-2-7)17-9-5-6-15-10(9)16/h1-4,9H,5-6H2,(H,15,16)
InChIKeyHKKGMJIOODHCMV-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one?
The IUPAC name of 3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one (CID 166644547) is 3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one?
The canonical SMILES for 3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one is O=C1NCCC1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one?
The InChIKey is HKKGMJIOODHCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)7-1-3-8(4-2-7)17-9-5-6-15-10(9)16/h1-4,9H,5-6H2,(H,15,16).
What are the key properties of 3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one?
3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one has a molecular weight of 245.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one is sourced from PubChem (CID 166644547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).