5,5,5-trifluoro-1-propylsulfanylpentan-2-amine

C8H16F3NS — CID 65129247

IUPAC5,5,5-trifluoro-1-propylsulfanylpentan-2-amine
SMILESCCCSCC(N)CCC(F)(F)F
InChIInChI=1S/C8H16F3NS/c1-2-5-13-6-7(12)3-4-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyFWNFDKYIKBMWDI-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.80
Rot. Bonds6

About 5,5,5-trifluoro-1-propylsulfanylpentan-2-amine

5,5,5-trifluoro-1-propylsulfanylpentan-2-amine (PubChem CID 65129247) has the molecular formula C8H16F3NS and a molecular weight of 215.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-propylsulfanylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-propylsulfanylpentan-2-amine
PubChem CID65129247
Molecular FormulaC8H16F3NS
Molecular Weight215.28 g/mol
Exact Mass215.10
IUPAC Name5,5,5-trifluoro-1-propylsulfanylpentan-2-amine
SMILESCCCSCC(N)CCC(F)(F)F
InChIInChI=1S/C8H16F3NS/c1-2-5-13-6-7(12)3-4-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyFWNFDKYIKBMWDI-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-propylsulfanylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-propylsulfanylpentan-2-amine (CID 65129247) is 5,5,5-trifluoro-1-propylsulfanylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-propylsulfanylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-propylsulfanylpentan-2-amine is CCCSCC(N)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-propylsulfanylpentan-2-amine?
The InChIKey is FWNFDKYIKBMWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NS/c1-2-5-13-6-7(12)3-4-8(9,10)11/h7H,2-6,12H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-propylsulfanylpentan-2-amine?
5,5,5-trifluoro-1-propylsulfanylpentan-2-amine has a molecular weight of 215.28 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-propylsulfanylpentan-2-amine is sourced from PubChem (CID 65129247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).