1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol

C14H20FNO2S — CID 107166000

IUPAC1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCSC1)COc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c15-12-1-3-14(4-2-12)18-9-13(17)8-16-7-11-5-6-19-10-11/h1-4,11,13,16-17H,5-10H2
InChIKeyJDKAQNCPNGFKCI-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.91
Rot. Bonds7

About 1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol

1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol (PubChem CID 107166000) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol
PubChem CID107166000
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCSC1)COc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c15-12-1-3-14(4-2-12)18-9-13(17)8-16-7-11-5-6-19-10-11/h1-4,11,13,16-17H,5-10H2
InChIKeyJDKAQNCPNGFKCI-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-hydroxy-3-(thiolan-3-ylmethylamino)propoxy]benzonitrile
CID 107295726
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide
CID 119937858
1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107166431
N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 79377805
6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 60632924
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115519141
1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
CID 103603634
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol (CID 107166000) is 1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol is OC(CNCC1CCSC1)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol?
The InChIKey is JDKAQNCPNGFKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c15-12-1-3-14(4-2-12)18-9-13(17)8-16-7-11-5-6-19-10-11/h1-4,11,13,16-17H,5-10H2.
What are the key properties of 1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol?
1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol has a molecular weight of 285.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 107166000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).