2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C7H14F3NS — CID 62577328

IUPAC2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCSC(C)CNCC(F)(F)F
InChIInChI=1S/C7H14F3NS/c1-3-12-6(2)4-11-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeySFWNMYLIGCGLTN-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.28
Rot. Bonds5

About 2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62577328) has the molecular formula C7H14F3NS and a molecular weight of 201.26 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62577328
Molecular FormulaC7H14F3NS
Molecular Weight201.26 g/mol
Exact Mass201.08
IUPAC Name2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCSC(C)CNCC(F)(F)F
InChIInChI=1S/C7H14F3NS/c1-3-12-6(2)4-11-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeySFWNMYLIGCGLTN-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62577328) is 2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CCSC(C)CNCC(F)(F)F.
What is the InChIKey of 2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is SFWNMYLIGCGLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NS/c1-3-12-6(2)4-11-5-7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 201.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62577328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).