(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

C11H10F3NO — CID 71742226

IUPAC(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1C[C@H](c2ccc(C(F)(F)F)cc2)CN1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)9-3-1-7(2-4-9)8-5-10(16)15-6-8/h1-4,8H,5-6H2,(H,15,16)/t8-/m0/s1
InChIKeyPDTLMKLERGEENQ-QMMMGPOBSA-N
MW229.20 g/mol
LogP2.31
Rot. Bonds1

About (4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 71742226) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is (4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID71742226
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1C[C@H](c2ccc(C(F)(F)F)cc2)CN1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)9-3-1-7(2-4-9)8-5-10(16)15-6-8/h1-4,8H,5-6H2,(H,15,16)/t8-/m0/s1
InChIKeyPDTLMKLERGEENQ-QMMMGPOBSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 71742226) is (4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1C[C@H](c2ccc(C(F)(F)F)cc2)CN1.
What is the InChIKey of (4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is PDTLMKLERGEENQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)9-3-1-7(2-4-9)8-5-10(16)15-6-8/h1-4,8H,5-6H2,(H,15,16)/t8-/m0/s1.
What are the key properties of (4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 229.20 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 71742226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).