5,5,5-trifluoro-1-methylsulfanylpentan-2-amine

C6H12F3NS — CID 64567433

IUPAC5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
SMILESCSCC(N)CCC(F)(F)F
InChIInChI=1S/C6H12F3NS/c1-11-4-5(10)2-3-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyXFMRNVXAIBLRFG-UHFFFAOYSA-N
MW187.23 g/mol
LogP2.02
Rot. Bonds4

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

5,5,5-trifluoro-1-methylsulfanylpentan-2-amine (PubChem CID 64567433) has the molecular formula C6H12F3NS and a molecular weight of 187.23 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
PubChem CID64567433
Molecular FormulaC6H12F3NS
Molecular Weight187.23 g/mol
Exact Mass187.06
IUPAC Name5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
SMILESCSCC(N)CCC(F)(F)F
InChIInChI=1S/C6H12F3NS/c1-11-4-5(10)2-3-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyXFMRNVXAIBLRFG-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine (CID 64567433) is 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine is CSCC(N)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine?
The InChIKey is XFMRNVXAIBLRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NS/c1-11-4-5(10)2-3-6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine?
5,5,5-trifluoro-1-methylsulfanylpentan-2-amine has a molecular weight of 187.23 g/mol, XLogP of 2.02, 4 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-methylsulfanylpentan-2-amine is sourced from PubChem (CID 64567433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).