(2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol

C10H14FNOS — CID 54114465

IUPAC(2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol
SMILESN[C@H](CO)CSCc1ccc(F)cc1
InChIInChI=1S/C10H14FNOS/c11-9-3-1-8(2-4-9)6-14-7-10(12)5-13/h1-4,10,13H,5-7,12H2/t10-/m1/s1
InChIKeyNJJKOQMQTIISKN-SNVBAGLBSA-N
MW215.29 g/mol
LogP1.38
Rot. Bonds5

About (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol

(2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol (PubChem CID 54114465) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol
PubChem CID54114465
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name(2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol
SMILESN[C@H](CO)CSCc1ccc(F)cc1
InChIInChI=1S/C10H14FNOS/c11-9-3-1-8(2-4-9)6-14-7-10(12)5-13/h1-4,10,13H,5-7,12H2/t10-/m1/s1
InChIKeyNJJKOQMQTIISKN-SNVBAGLBSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol?
The IUPAC name of (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol (CID 54114465) is (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol is N[C@H](CO)CSCc1ccc(F)cc1.
What is the InChIKey of (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol?
The InChIKey is NJJKOQMQTIISKN-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14FNOS/c11-9-3-1-8(2-4-9)6-14-7-10(12)5-13/h1-4,10,13H,5-7,12H2/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol?
(2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol has a molecular weight of 215.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 54114465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).