1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one

C17H18FNO2S — CID 110363977

IUPAC1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C17H18FNO2S/c18-15-6-2-1-5-14(15)16-12-19(9-10-21-16)17(20)8-7-13-4-3-11-22-13/h1-6,11,16H,7-10,12H2
InChIKeyNRWRYWYXOCHHJH-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.42
Rot. Bonds4

About 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one

1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 110363977) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID110363977
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C17H18FNO2S/c18-15-6-2-1-5-14(15)16-12-19(9-10-21-16)17(20)8-7-13-4-3-11-22-13/h1-6,11,16H,7-10,12H2
InChIKeyNRWRYWYXOCHHJH-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
CID 110416386
1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110364040
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
CID 127246266
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124960617
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110326851
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124979682
1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124975891
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one (CID 110363977) is 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)N1CCOC(c2ccccc2F)C1.
What is the InChIKey of 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is NRWRYWYXOCHHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-15-6-2-1-5-14(15)16-12-19(9-10-21-16)17(20)8-7-13-4-3-11-22-13/h1-6,11,16H,7-10,12H2.
What are the key properties of 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 319.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 110363977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).