(5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one

C12H12F3NO — CID 129380708

IUPAC(5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one
SMILESC[C@]1(Cc2cc(F)c(F)c(F)c2)CCC(=O)N1
InChIInChI=1S/C12H12F3NO/c1-12(3-2-10(17)16-12)6-7-4-8(13)11(15)9(14)5-7/h4-5H,2-3,6H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyVOUCKLWINFKMHE-GFCCVEGCSA-N
MW243.23 g/mol
LogP2.32
Rot. Bonds2

About (5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one

(5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 129380708) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is (5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one
PubChem CID129380708
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name(5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one
SMILESC[C@]1(Cc2cc(F)c(F)c(F)c2)CCC(=O)N1
InChIInChI=1S/C12H12F3NO/c1-12(3-2-10(17)16-12)6-7-4-8(13)11(15)9(14)5-7/h4-5H,2-3,6H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyVOUCKLWINFKMHE-GFCCVEGCSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one (CID 129380708) is (5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one is C[C@]1(Cc2cc(F)c(F)c(F)c2)CCC(=O)N1.
What is the InChIKey of (5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is VOUCKLWINFKMHE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-12(3-2-10(17)16-12)6-7-4-8(13)11(15)9(14)5-7/h4-5H,2-3,6H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one?
(5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 243.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 129380708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).