1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol

C21H24F3NO2 — CID 143373095

IUPAC1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol
SMILESCCCO.O=C1CCCN1C(Cc1ccc(F)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C18H16F3NO.C3H8O/c19-14-6-4-13(5-7-14)17(22-9-1-2-18(22)23)11-12-3-8-15(20)16(21)10-12;1-2-3-4/h3-8,10,17H,1-2,9,11H2;4H,2-3H2,1H3
InChIKeyORSIFMNQELPADP-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.40
Rot. Bonds5

About 1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol

1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol (PubChem CID 143373095) has the molecular formula C21H24F3NO2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol
PubChem CID143373095
Molecular FormulaC21H24F3NO2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol
SMILESCCCO.O=C1CCCN1C(Cc1ccc(F)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C18H16F3NO.C3H8O/c19-14-6-4-13(5-7-14)17(22-9-1-2-18(22)23)11-12-3-8-15(20)16(21)10-12;1-2-3-4/h3-8,10,17H,1-2,9,11H2;4H,2-3H2,1H3
InChIKeyORSIFMNQELPADP-UHFFFAOYSA-N
XLogP4.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol?
The IUPAC name of 1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol (CID 143373095) is 1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol is CCCO.O=C1CCCN1C(Cc1ccc(F)c(F)c1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol?
The InChIKey is ORSIFMNQELPADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO.C3H8O/c19-14-6-4-13(5-7-14)17(22-9-1-2-18(22)23)11-12-3-8-15(20)16(21)10-12;1-2-3-4/h3-8,10,17H,1-2,9,11H2;4H,2-3H2,1H3.
What are the key properties of 1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol?
1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol has a molecular weight of 379.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol is sourced from PubChem (CID 143373095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).