4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one

C13H14F3NO2 — CID 58110639

IUPAC4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one
SMILESCCC(c1cc(F)c(F)c(F)c1)N1CCOCC1=O
InChIInChI=1S/C13H14F3NO2/c1-2-11(17-3-4-19-7-12(17)18)8-5-9(14)13(16)10(15)6-8/h5-6,11H,2-4,7H2,1H3
InChIKeyUDRZRKMPHUTKDU-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.41
Rot. Bonds3

About 4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one

4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one (PubChem CID 58110639) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one.

Molecular Properties

Compound Name4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one
PubChem CID58110639
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one
SMILESCCC(c1cc(F)c(F)c(F)c1)N1CCOCC1=O
InChIInChI=1S/C13H14F3NO2/c1-2-11(17-3-4-19-7-12(17)18)8-5-9(14)13(16)10(15)6-8/h5-6,11H,2-4,7H2,1H3
InChIKeyUDRZRKMPHUTKDU-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one?
The IUPAC name of 4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one (CID 58110639) is 4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one.
What is the SMILES notation for 4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one?
The canonical SMILES for 4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one is CCC(c1cc(F)c(F)c(F)c1)N1CCOCC1=O.
What is the InChIKey of 4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one?
The InChIKey is UDRZRKMPHUTKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-2-11(17-3-4-19-7-12(17)18)8-5-9(14)13(16)10(15)6-8/h5-6,11H,2-4,7H2,1H3.
What are the key properties of 4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one?
4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one has a molecular weight of 273.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4,5-trifluorophenyl)propyl]morpholin-3-one is sourced from PubChem (CID 58110639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).