6,6,6-trifluoro-1-methylsulfanylhexan-3-amine

C7H14F3NS — CID 105156487

IUPAC6,6,6-trifluoro-1-methylsulfanylhexan-3-amine
SMILESCSCCC(N)CCC(F)(F)F
InChIInChI=1S/C7H14F3NS/c1-12-5-3-6(11)2-4-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyIWSUCGFATOLKIW-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.41
Rot. Bonds5

About 6,6,6-trifluoro-1-methylsulfanylhexan-3-amine

6,6,6-trifluoro-1-methylsulfanylhexan-3-amine (PubChem CID 105156487) has the molecular formula C7H14F3NS and a molecular weight of 201.26 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-methylsulfanylhexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-methylsulfanylhexan-3-amine
PubChem CID105156487
Molecular FormulaC7H14F3NS
Molecular Weight201.26 g/mol
Exact Mass201.08
IUPAC Name6,6,6-trifluoro-1-methylsulfanylhexan-3-amine
SMILESCSCCC(N)CCC(F)(F)F
InChIInChI=1S/C7H14F3NS/c1-12-5-3-6(11)2-4-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyIWSUCGFATOLKIW-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 6,6,6-trifluoro-1-methylsulfanylhexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-1-methylsulfanylhexan-3-amine (CID 105156487) is 6,6,6-trifluoro-1-methylsulfanylhexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-methylsulfanylhexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-1-methylsulfanylhexan-3-amine is CSCCC(N)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-methylsulfanylhexan-3-amine?
The InChIKey is IWSUCGFATOLKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NS/c1-12-5-3-6(11)2-4-7(8,9)10/h6H,2-5,11H2,1H3.
What are the key properties of 6,6,6-trifluoro-1-methylsulfanylhexan-3-amine?
6,6,6-trifluoro-1-methylsulfanylhexan-3-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 6,6,6-trifluoro-1-methylsulfanylhexan-3-amine is sourced from PubChem (CID 105156487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).