3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine

C6H12F3NOS — CID 43753046

IUPAC3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine
SMILESCOCCSC(CN)C(F)(F)F
InChIInChI=1S/C6H12F3NOS/c1-11-2-3-12-5(4-10)6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyKNKNMZXOLFLUFM-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.26
Rot. Bonds5

About 3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine

3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine (PubChem CID 43753046) has the molecular formula C6H12F3NOS and a molecular weight of 203.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine
PubChem CID43753046
Molecular FormulaC6H12F3NOS
Molecular Weight203.23 g/mol
Exact Mass203.06
IUPAC Name3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine
SMILESCOCCSC(CN)C(F)(F)F
InChIInChI=1S/C6H12F3NOS/c1-11-2-3-12-5(4-10)6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyKNKNMZXOLFLUFM-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(2,2,2-Trifluoroethylsulfanyl)oxetan-3-yl]methanamine
CID 130236597
2-(3-Amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol
CID 43753050
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
1,1,1-Trifluoro-2-(2-methoxyethylsulfanyl)pentan-3-amine
CID 61648283
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
1,1,1-Trifluoro-2-(3-methoxypropylsulfanyl)pentan-3-amine
CID 63857373

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine (CID 43753046) is 3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine is COCCSC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine?
The InChIKey is KNKNMZXOLFLUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NOS/c1-11-2-3-12-5(4-10)6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine?
3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine has a molecular weight of 203.23 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2-methoxyethylsulfanyl)propan-1-amine is sourced from PubChem (CID 43753046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).