(2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol

C15H16F3NOS — CID 7086176

IUPAC(2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CN(Cc1ccccc1)Cc1cccs1)C(F)(F)F
InChIInChI=1S/C15H16F3NOS/c16-15(17,18)14(20)11-19(10-13-7-4-8-21-13)9-12-5-2-1-3-6-12/h1-8,14,20H,9-11H2/t14-/m0/s1
InChIKeyFGUVHDGSLLLXOS-AWEZNQCLSA-N
MW315.36 g/mol
LogP3.67
Rot. Bonds6

About (2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol

(2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 7086176) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is (2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID7086176
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC Name(2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CN(Cc1ccccc1)Cc1cccs1)C(F)(F)F
InChIInChI=1S/C15H16F3NOS/c16-15(17,18)14(20)11-19(10-13-7-4-8-21-13)9-12-5-2-1-3-6-12/h1-8,14,20H,9-11H2/t14-/m0/s1
InChIKeyFGUVHDGSLLLXOS-AWEZNQCLSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol (CID 7086176) is (2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol is O[C@@H](CN(Cc1ccccc1)Cc1cccs1)C(F)(F)F.
What is the InChIKey of (2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is FGUVHDGSLLLXOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16F3NOS/c16-15(17,18)14(20)11-19(10-13-7-4-8-21-13)9-12-5-2-1-3-6-12/h1-8,14,20H,9-11H2/t14-/m0/s1.
What are the key properties of (2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol?
(2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 315.36 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 7086176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).