2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine

C6H12F3NOS — CID 106705087

IUPAC2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine
SMILESCC(CN)SCOCC(F)(F)F
InChIInChI=1S/C6H12F3NOS/c1-5(2-10)12-4-11-3-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyQHYBNYGGHKLZJS-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.60
Rot. Bonds5

About 2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine

2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine (PubChem CID 106705087) has the molecular formula C6H12F3NOS and a molecular weight of 203.23 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine
PubChem CID106705087
Molecular FormulaC6H12F3NOS
Molecular Weight203.23 g/mol
Exact Mass203.06
IUPAC Name2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine
SMILESCC(CN)SCOCC(F)(F)F
InChIInChI=1S/C6H12F3NOS/c1-5(2-10)12-4-11-3-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyQHYBNYGGHKLZJS-UHFFFAOYSA-N
XLogP1.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-methoxy-N-(4,4,4-trifluorobutylsulfanyl)ethanamine
CID 129302187
3,3,3-Trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine
CID 43753046
4,4,4-Trifluoro-3-(2-methoxyethylsulfanyl)butan-1-amine
CID 43753388
2-[2-(2,2,2-Trifluoroethoxy)ethylsulfanyl]ethanamine
CID 61490851
2-[3-(2,2,2-Trifluoroethoxy)propylsulfanyl]ethanamine
CID 61491353
4,4,4-Trifluoro-3-(2-methoxyethylsulfanyl)butan-2-amine
CID 61648282
2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine
CID 62578438
3,3,3-Trifluoro-2-(3-methoxypropylsulfanyl)propan-1-amine
CID 63855720
4,4,4-Trifluoro-3-(3-methoxypropylsulfanyl)butan-2-amine
CID 63856103
4,4,4-Trifluoro-3-(3-methoxypropylsulfanyl)butan-1-amine
CID 63857220
2-[2-(Trifluoromethoxy)ethylsulfanyl]ethanamine
CID 65806074
1-[2-(Trifluoromethoxy)ethylsulfanyl]propan-2-amine
CID 66216998

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine (CID 106705087) is 2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine is CC(CN)SCOCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine?
The InChIKey is QHYBNYGGHKLZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NOS/c1-5(2-10)12-4-11-3-6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine?
2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine has a molecular weight of 203.23 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-amine is sourced from PubChem (CID 106705087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).