(1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine

C11H14F3NOS — CID 135040330

IUPAC(1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine
SMILESC[C@@H](NCCS(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H14F3NOS/c1-9(10-5-3-2-4-6-10)15-7-8-17(16)11(12,13)14/h2-6,9,15H,7-8H2,1H3/t9-,17?/m1/s1
InChIKeyVVSGFSACGUGNPR-SUSUGVNDSA-N
MW265.30 g/mol
LogP2.61
Rot. Bonds5

About (1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine

(1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine (PubChem CID 135040330) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is (1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine
PubChem CID135040330
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name(1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine
SMILESC[C@@H](NCCS(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H14F3NOS/c1-9(10-5-3-2-4-6-10)15-7-8-17(16)11(12,13)14/h2-6,9,15H,7-8H2,1H3/t9-,17?/m1/s1
InChIKeyVVSGFSACGUGNPR-SUSUGVNDSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine (CID 135040330) is (1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine is C[C@@H](NCCS(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine?
The InChIKey is VVSGFSACGUGNPR-SUSUGVNDSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-9(10-5-3-2-4-6-10)15-7-8-17(16)11(12,13)14/h2-6,9,15H,7-8H2,1H3/t9-,17?/m1/s1.
What are the key properties of (1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine?
(1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine has a molecular weight of 265.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-[2-(trifluoromethylsulfinyl)ethyl]ethanamine is sourced from PubChem (CID 135040330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).