1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol

C9H12F3NOS — CID 63899583

IUPAC1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCN(Cc1ccsc1)CC(O)C(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-13(4-7-2-3-15-6-7)5-8(14)9(10,11)12/h2-3,6,8,14H,4-5H2,1H3
InChIKeyOYTDKJUIYVIYOG-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.10
Rot. Bonds4

About 1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol

1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol (PubChem CID 63899583) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
PubChem CID63899583
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCN(Cc1ccsc1)CC(O)C(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-13(4-7-2-3-15-6-7)5-8(14)9(10,11)12/h2-3,6,8,14H,4-5H2,1H3
InChIKeyOYTDKJUIYVIYOG-UHFFFAOYSA-N
XLogP2.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol (CID 63899583) is 1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol is CN(Cc1ccsc1)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The InChIKey is OYTDKJUIYVIYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-13(4-7-2-3-15-6-7)5-8(14)9(10,11)12/h2-3,6,8,14H,4-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol has a molecular weight of 239.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 63899583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).