2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol

C7H14F3NOS — CID 106246965

IUPAC2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCSCC(C)(O)CNCC(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-6(12,5-13-2)3-11-4-7(8,9)10/h11-12H,3-5H2,1-2H3
InChIKeyNLXALTVIKYDHET-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.25
Rot. Bonds5

About 2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol

2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol (PubChem CID 106246965) has the molecular formula C7H14F3NOS and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
PubChem CID106246965
Molecular FormulaC7H14F3NOS
Molecular Weight217.26 g/mol
Exact Mass217.07
IUPAC Name2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCSCC(C)(O)CNCC(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-6(12,5-13-2)3-11-4-7(8,9)10/h11-12H,3-5H2,1-2H3
InChIKeyNLXALTVIKYDHET-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol (CID 106246965) is 2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol is CSCC(C)(O)CNCC(F)(F)F.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The InChIKey is NLXALTVIKYDHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NOS/c1-6(12,5-13-2)3-11-4-7(8,9)10/h11-12H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol?
2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol has a molecular weight of 217.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol is sourced from PubChem (CID 106246965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).