1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine

C12H24F3NS — CID 65132245

IUPAC1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CSC(C)(C)C
InChIInChI=1S/C12H24F3NS/c1-5-8-16-10(6-7-12(13,14)15)9-17-11(2,3)4/h10,16H,5-9H2,1-4H3
InChIKeyPLFHGLIXXMJAEO-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.23
Rot. Bonds7

About 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine

1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine (PubChem CID 65132245) has the molecular formula C12H24F3NS and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
PubChem CID65132245
Molecular FormulaC12H24F3NS
Molecular Weight271.39 g/mol
Exact Mass271.16
IUPAC Name1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CSC(C)(C)C
InChIInChI=1S/C12H24F3NS/c1-5-8-16-10(6-7-12(13,14)15)9-17-11(2,3)4/h10,16H,5-9H2,1-4H3
InChIKeyPLFHGLIXXMJAEO-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine (CID 65132245) is 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)CSC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
The InChIKey is PLFHGLIXXMJAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NS/c1-5-8-16-10(6-7-12(13,14)15)9-17-11(2,3)4/h10,16H,5-9H2,1-4H3.
What are the key properties of 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine has a molecular weight of 271.39 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine is sourced from PubChem (CID 65132245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).