(2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol

C14H14F3NOS — CID 7221612

IUPAC(2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol
SMILESO[C@@H](CNCc1ccc(-c2cccs2)cc1)C(F)(F)F
InChIInChI=1S/C14H14F3NOS/c15-14(16,17)13(19)9-18-8-10-3-5-11(6-4-10)12-2-1-7-20-12/h1-7,13,18-19H,8-9H2/t13-/m0/s1
InChIKeyUHVRVMDHJOPGRP-ZDUSSCGKSA-N
MW301.33 g/mol
LogP3.43
Rot. Bonds5

About (2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol

(2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol (PubChem CID 7221612) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol
PubChem CID7221612
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC Name(2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol
SMILESO[C@@H](CNCc1ccc(-c2cccs2)cc1)C(F)(F)F
InChIInChI=1S/C14H14F3NOS/c15-14(16,17)13(19)9-18-8-10-3-5-11(6-4-10)12-2-1-7-20-12/h1-7,13,18-19H,8-9H2/t13-/m0/s1
InChIKeyUHVRVMDHJOPGRP-ZDUSSCGKSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol (CID 7221612) is (2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol is O[C@@H](CNCc1ccc(-c2cccs2)cc1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol?
The InChIKey is UHVRVMDHJOPGRP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14F3NOS/c15-14(16,17)13(19)9-18-8-10-3-5-11(6-4-10)12-2-1-7-20-12/h1-7,13,18-19H,8-9H2/t13-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol?
(2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol has a molecular weight of 301.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 7221612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).