4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol

C7H14F3NOS — CID 61044752

IUPAC4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
SMILESCSCCC(CO)NCC(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-13-3-2-6(4-12)11-5-7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyYWLKJALLSADNFW-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.25
Rot. Bonds6

About 4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol

4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol (PubChem CID 61044752) has the molecular formula C7H14F3NOS and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol.

Molecular Properties

Compound Name4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
PubChem CID61044752
Molecular FormulaC7H14F3NOS
Molecular Weight217.26 g/mol
Exact Mass217.07
IUPAC Name4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
SMILESCSCCC(CO)NCC(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-13-3-2-6(4-12)11-5-7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyYWLKJALLSADNFW-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The IUPAC name of 4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol (CID 61044752) is 4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol.
What is the SMILES notation for 4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The canonical SMILES for 4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol is CSCCC(CO)NCC(F)(F)F.
What is the InChIKey of 4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The InChIKey is YWLKJALLSADNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NOS/c1-13-3-2-6(4-12)11-5-7(8,9)10/h6,11-12H,2-5H2,1H3.
What are the key properties of 4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol has a molecular weight of 217.26 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butan-1-ol is sourced from PubChem (CID 61044752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).