4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one

C12H14FNO2 — CID 66961362

IUPAC4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one
SMILESC[C@@H](c1ccc(F)cc1)N1CCOCC1=O
InChIInChI=1S/C12H14FNO2/c1-9(10-2-4-11(13)5-3-10)14-6-7-16-8-12(14)15/h2-5,9H,6-8H2,1H3/t9-/m0/s1
InChIKeyCRVRJTKYADIFOP-VIFPVBQESA-N
MW223.25 g/mol
LogP1.75
Rot. Bonds2

About 4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one

4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one (PubChem CID 66961362) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one
PubChem CID66961362
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one
SMILESC[C@@H](c1ccc(F)cc1)N1CCOCC1=O
InChIInChI=1S/C12H14FNO2/c1-9(10-2-4-11(13)5-3-10)14-6-7-16-8-12(14)15/h2-5,9H,6-8H2,1H3/t9-/m0/s1
InChIKeyCRVRJTKYADIFOP-VIFPVBQESA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one?
The IUPAC name of 4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one (CID 66961362) is 4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one.
What is the SMILES notation for 4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one?
The canonical SMILES for 4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one is C[C@@H](c1ccc(F)cc1)N1CCOCC1=O.
What is the InChIKey of 4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one?
The InChIKey is CRVRJTKYADIFOP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14FNO2/c1-9(10-2-4-11(13)5-3-10)14-6-7-16-8-12(14)15/h2-5,9H,6-8H2,1H3/t9-/m0/s1.
What are the key properties of 4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one?
4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one has a molecular weight of 223.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(4-fluorophenyl)ethyl]morpholin-3-one is sourced from PubChem (CID 66961362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).