1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine

C7H14F3NS — CID 65128315

IUPAC1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine
SMILESCCSCC(N)CCC(F)(F)F
InChIInChI=1S/C7H14F3NS/c1-2-12-5-6(11)3-4-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyOKEHQNHLGPILOS-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.41
Rot. Bonds5

About 1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine

1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine (PubChem CID 65128315) has the molecular formula C7H14F3NS and a molecular weight of 201.26 g/mol. Its IUPAC name is 1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine
PubChem CID65128315
Molecular FormulaC7H14F3NS
Molecular Weight201.26 g/mol
Exact Mass201.08
IUPAC Name1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine
SMILESCCSCC(N)CCC(F)(F)F
InChIInChI=1S/C7H14F3NS/c1-2-12-5-6(11)3-4-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyOKEHQNHLGPILOS-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine (CID 65128315) is 1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine is CCSCC(N)CCC(F)(F)F.
What is the InChIKey of 1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine?
The InChIKey is OKEHQNHLGPILOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NS/c1-2-12-5-6(11)3-4-7(8,9)10/h6H,2-5,11H2,1H3.
What are the key properties of 1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine?
1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine has a molecular weight of 201.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 65128315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).