2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one

C13H15F2NO3 — CID 78767959

IUPAC2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H15F2NO3/c1-9(13(17)16-4-6-18-7-5-16)19-10-2-3-11(14)12(15)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyIEPRFVLMUWNDCP-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.59
Rot. Bonds3

About 2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one

2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one (PubChem CID 78767959) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
PubChem CID78767959
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H15F2NO3/c1-9(13(17)16-4-6-18-7-5-16)19-10-2-3-11(14)12(15)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyIEPRFVLMUWNDCP-UHFFFAOYSA-N
XLogP1.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenoxy)propan-1-one
CID 119517559
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenoxy)propan-1-one;hydrochloride
CID 119517558
(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 95165980
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
(2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 94815844
2-[4-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43503667
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069
2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43115804

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one (CID 78767959) is 2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one is CC(Oc1ccc(F)c(F)c1)C(=O)N1CCOCC1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one?
The InChIKey is IEPRFVLMUWNDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-9(13(17)16-4-6-18-7-5-16)19-10-2-3-11(14)12(15)8-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one?
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one has a molecular weight of 271.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 78767959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).