5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one

C15H18F3NO2 — CID 12970088

IUPAC5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one
SMILESO=C1CCC(CCC(O)Cc2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)11-3-1-2-10(8-11)9-13(20)6-4-12-5-7-14(21)19-12/h1-3,8,12-13,20H,4-7,9H2,(H,19,21)
InChIKeyRSMJOBRJNFOERO-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.67
Rot. Bonds5

About 5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one

5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one (PubChem CID 12970088) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one
PubChem CID12970088
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one
SMILESO=C1CCC(CCC(O)Cc2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)11-3-1-2-10(8-11)9-13(20)6-4-12-5-7-14(21)19-12/h1-3,8,12-13,20H,4-7,9H2,(H,19,21)
InChIKeyRSMJOBRJNFOERO-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one (CID 12970088) is 5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one is O=C1CCC(CCC(O)Cc2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one?
The InChIKey is RSMJOBRJNFOERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)11-3-1-2-10(8-11)9-13(20)6-4-12-5-7-14(21)19-12/h1-3,8,12-13,20H,4-7,9H2,(H,19,21).
What are the key properties of 5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one?
5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one has a molecular weight of 301.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]pyrrolidin-2-one is sourced from PubChem (CID 12970088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).