(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine

C13H14FNS — CID 10776131

IUPAC(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine
SMILESC[C@](N)(Cc1ccccc1F)c1cccs1
InChIInChI=1S/C13H14FNS/c1-13(15,12-7-4-8-16-12)9-10-5-2-3-6-11(10)14/h2-8H,9,15H2,1H3/t13-/m0/s1
InChIKeyYRKCJFXITCRSPG-ZDUSSCGKSA-N
MW235.33 g/mol
LogP3.30
Rot. Bonds3

About (2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine

(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine (PubChem CID 10776131) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine
PubChem CID10776131
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine
SMILESC[C@](N)(Cc1ccccc1F)c1cccs1
InChIInChI=1S/C13H14FNS/c1-13(15,12-7-4-8-16-12)9-10-5-2-3-6-11(10)14/h2-8H,9,15H2,1H3/t13-/m0/s1
InChIKeyYRKCJFXITCRSPG-ZDUSSCGKSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine?
The IUPAC name of (2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine (CID 10776131) is (2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for (2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine?
The canonical SMILES for (2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine is C[C@](N)(Cc1ccccc1F)c1cccs1.
What is the InChIKey of (2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine?
The InChIKey is YRKCJFXITCRSPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14FNS/c1-13(15,12-7-4-8-16-12)9-10-5-2-3-6-11(10)14/h2-8H,9,15H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine?
(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 10776131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).