(2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine

C8H16F3NS — CID 166766956

IUPAC(2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine
SMILESCS[C@@H](N[C@H](C)C(C)C)C(F)(F)F
InChIInChI=1S/C8H16F3NS/c1-5(2)6(3)12-7(13-4)8(9,10)11/h5-7,12H,1-4H3/t6-,7-/m1/s1
InChIKeyMCYPUQRXTXKACI-RNFRBKRXSA-N
MW215.28 g/mol
LogP2.87
Rot. Bonds4

About (2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine

(2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine (PubChem CID 166766956) has the molecular formula C8H16F3NS and a molecular weight of 215.28 g/mol. Its IUPAC name is (2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine
PubChem CID166766956
Molecular FormulaC8H16F3NS
Molecular Weight215.28 g/mol
Exact Mass215.10
IUPAC Name(2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine
SMILESCS[C@@H](N[C@H](C)C(C)C)C(F)(F)F
InChIInChI=1S/C8H16F3NS/c1-5(2)6(3)12-7(13-4)8(9,10)11/h5-7,12H,1-4H3/t6-,7-/m1/s1
InChIKeyMCYPUQRXTXKACI-RNFRBKRXSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine?
The IUPAC name of (2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine (CID 166766956) is (2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine.
What is the SMILES notation for (2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine?
The canonical SMILES for (2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine is CS[C@@H](N[C@H](C)C(C)C)C(F)(F)F.
What is the InChIKey of (2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine?
The InChIKey is MCYPUQRXTXKACI-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16F3NS/c1-5(2)6(3)12-7(13-4)8(9,10)11/h5-7,12H,1-4H3/t6-,7-/m1/s1.
What are the key properties of (2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine?
(2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine has a molecular weight of 215.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine is sourced from PubChem (CID 166766956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).