2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol

C15H15F2NOS — CID 64821719

IUPAC2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol
SMILESNC(CO)(CSc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C15H15F2NOS/c16-13-7-6-12(8-14(13)17)20-10-15(18,9-19)11-4-2-1-3-5-11/h1-8,19H,9-10,18H2
InChIKeyULDWDHTUDZSBHI-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.90
Rot. Bonds5

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

2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol (PubChem CID 64821719) has the molecular formula C15H15F2NOS and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol
PubChem CID64821719
Molecular FormulaC15H15F2NOS
Molecular Weight295.35 g/mol
Exact Mass295.08
IUPAC Name2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol
SMILESNC(CO)(CSc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C15H15F2NOS/c16-13-7-6-12(8-14(13)17)20-10-15(18,9-19)11-4-2-1-3-5-11/h1-8,19H,9-10,18H2
InChIKeyULDWDHTUDZSBHI-UHFFFAOYSA-N
XLogP2.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol (CID 64821719) is 2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol is NC(CO)(CSc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol?
The InChIKey is ULDWDHTUDZSBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NOS/c16-13-7-6-12(8-14(13)17)20-10-15(18,9-19)11-4-2-1-3-5-11/h1-8,19H,9-10,18H2.
What are the key properties of 2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol?
2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol has a molecular weight of 295.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol is sourced from PubChem (CID 64821719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).