2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol

C15H16FNOS — CID 64805343

IUPAC2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol
SMILESNC(CO)(CSc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H16FNOS/c16-13-6-8-14(9-7-13)19-11-15(17,10-18)12-4-2-1-3-5-12/h1-9,18H,10-11,17H2
InChIKeyALKKMKWERCGZMQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.76
Rot. Bonds5

About 2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol

2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol (PubChem CID 64805343) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol
PubChem CID64805343
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol
SMILESNC(CO)(CSc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H16FNOS/c16-13-6-8-14(9-7-13)19-11-15(17,10-18)12-4-2-1-3-5-12/h1-9,18H,10-11,17H2
InChIKeyALKKMKWERCGZMQ-UHFFFAOYSA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol (CID 64805343) is 2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol is NC(CO)(CSc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol?
The InChIKey is ALKKMKWERCGZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c16-13-6-8-14(9-7-13)19-11-15(17,10-18)12-4-2-1-3-5-12/h1-9,18H,10-11,17H2.
What are the key properties of 2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol?
2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol has a molecular weight of 277.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol is sourced from PubChem (CID 64805343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).