3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol

C13H12ClF2NOS — CID 65189624

IUPAC3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1F)C(O)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClF2NOS/c14-12-4-3-11(19-12)13(18)9(6-17)8-2-1-7(15)5-10(8)16/h1-5,9,13,18H,6,17H2
InChIKeySWDBAAGYVHSLLD-UHFFFAOYSA-N
MW303.76 g/mol
LogP3.46
Rot. Bonds4

About 3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol

3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol (PubChem CID 65189624) has the molecular formula C13H12ClF2NOS and a molecular weight of 303.76 g/mol. Its IUPAC name is 3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol
PubChem CID65189624
Molecular FormulaC13H12ClF2NOS
Molecular Weight303.76 g/mol
Exact Mass303.03
IUPAC Name3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1F)C(O)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClF2NOS/c14-12-4-3-11(19-12)13(18)9(6-17)8-2-1-7(15)5-10(8)16/h1-5,9,13,18H,6,17H2
InChIKeySWDBAAGYVHSLLD-UHFFFAOYSA-N
XLogP3.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol (CID 65189624) is 3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol is NCC(c1ccc(F)cc1F)C(O)c1ccc(Cl)s1.
What is the InChIKey of 3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol?
The InChIKey is SWDBAAGYVHSLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2NOS/c14-12-4-3-11(19-12)13(18)9(6-17)8-2-1-7(15)5-10(8)16/h1-5,9,13,18H,6,17H2.
What are the key properties of 3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol?
3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol has a molecular weight of 303.76 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 65189624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).