1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol

C13H18FNOS — CID 62643538

IUPAC1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
SMILESOC(CCN1CCSCC1)c1ccccc1F
InChIInChI=1S/C13H18FNOS/c14-12-4-2-1-3-11(12)13(16)5-6-15-7-9-17-10-8-15/h1-4,13,16H,5-10H2
InChIKeyNVUBEAQKYOZXIP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.30
Rot. Bonds4

About 1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol

1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol (PubChem CID 62643538) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
PubChem CID62643538
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
SMILESOC(CCN1CCSCC1)c1ccccc1F
InChIInChI=1S/C13H18FNOS/c14-12-4-2-1-3-11(12)13(16)5-6-15-7-9-17-10-8-15/h1-4,13,16H,5-10H2
InChIKeyNVUBEAQKYOZXIP-UHFFFAOYSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol (CID 62643538) is 1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol is OC(CCN1CCSCC1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol?
The InChIKey is NVUBEAQKYOZXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c14-12-4-2-1-3-11(12)13(16)5-6-15-7-9-17-10-8-15/h1-4,13,16H,5-10H2.
What are the key properties of 1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol?
1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-ol is sourced from PubChem (CID 62643538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).