1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine

C11H22F3NS — CID 65132953

IUPAC1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine
SMILESCCNC(CCC(F)(F)F)CSC(C)(C)C
InChIInChI=1S/C11H22F3NS/c1-5-15-9(6-7-11(12,13)14)8-16-10(2,3)4/h9,15H,5-8H2,1-4H3
InChIKeyJBBQKKJUYHOXIC-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.84
Rot. Bonds6

About 1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine

1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine (PubChem CID 65132953) has the molecular formula C11H22F3NS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine
PubChem CID65132953
Molecular FormulaC11H22F3NS
Molecular Weight257.36 g/mol
Exact Mass257.14
IUPAC Name1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine
SMILESCCNC(CCC(F)(F)F)CSC(C)(C)C
InChIInChI=1S/C11H22F3NS/c1-5-15-9(6-7-11(12,13)14)8-16-10(2,3)4/h9,15H,5-8H2,1-4H3
InChIKeyJBBQKKJUYHOXIC-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine (CID 65132953) is 1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine is CCNC(CCC(F)(F)F)CSC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine?
The InChIKey is JBBQKKJUYHOXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NS/c1-5-15-9(6-7-11(12,13)14)8-16-10(2,3)4/h9,15H,5-8H2,1-4H3.
What are the key properties of 1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine?
1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine has a molecular weight of 257.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 65132953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).