3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol

C13H13ClFNOS — CID 65185997

IUPAC3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol
SMILESNCC(c1c(F)cccc1Cl)C(O)c1ccsc1
InChIInChI=1S/C13H13ClFNOS/c14-10-2-1-3-11(15)12(10)9(6-16)13(17)8-4-5-18-7-8/h1-5,7,9,13,17H,6,16H2
InChIKeyNSCXEEFVRABSME-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.32
Rot. Bonds4

About 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol

3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol (PubChem CID 65185997) has the molecular formula C13H13ClFNOS and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol
PubChem CID65185997
Molecular FormulaC13H13ClFNOS
Molecular Weight285.77 g/mol
Exact Mass285.04
IUPAC Name3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol
SMILESNCC(c1c(F)cccc1Cl)C(O)c1ccsc1
InChIInChI=1S/C13H13ClFNOS/c14-10-2-1-3-11(15)12(10)9(6-16)13(17)8-4-5-18-7-8/h1-5,7,9,13,17H,6,16H2
InChIKeyNSCXEEFVRABSME-UHFFFAOYSA-N
XLogP3.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol (CID 65185997) is 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol is NCC(c1c(F)cccc1Cl)C(O)c1ccsc1.
What is the InChIKey of 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol?
The InChIKey is NSCXEEFVRABSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNOS/c14-10-2-1-3-11(15)12(10)9(6-16)13(17)8-4-5-18-7-8/h1-5,7,9,13,17H,6,16H2.
What are the key properties of 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol?
3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol has a molecular weight of 285.77 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 65185997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).