6,6,6-trifluoro-1-methylsulfanyl-N-propylhexan-3-amine

C10H20F3NS — CID 105156301

IUPAC6,6,6-trifluoro-1-methylsulfanyl-N-propylhexan-3-amine
SMILESCCCNC(CCSC)CCC(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-3-7-14-9(5-8-15-2)4-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyYVSIBUZNBKFSBD-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.45
Rot. Bonds8

About 6,6,6-trifluoro-1-methylsulfanyl-N-propylhexan-3-amine

6,6,6-trifluoro-1-methylsulfanyl-N-propylhexan-3-amine (PubChem CID 105156301) has the molecular formula C10H20F3NS and a molecular weight of 243.34 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-methylsulfanyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-methylsulfanyl-N-propylhexan-3-amine
PubChem CID105156301
Molecular FormulaC10H20F3NS
Molecular Weight243.34 g/mol
Exact Mass243.13
IUPAC Name6,6,6-trifluoro-1-methylsulfanyl-N-propylhexan-3-amine
SMILESCCCNC(CCSC)CCC(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-3-7-14-9(5-8-15-2)4-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyYVSIBUZNBKFSBD-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.45
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-methylsulfanyl-N-propylhexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-1-methylsulfanyl-N-propylhexan-3-amine (CID 105156301) is 6,6,6-trifluoro-1-methylsulfanyl-N-propylhexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-methylsulfanyl-N-propylhexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-1-methylsulfanyl-N-propylhexan-3-amine is CCCNC(CCSC)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-methylsulfanyl-N-propylhexan-3-amine?
The InChIKey is YVSIBUZNBKFSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NS/c1-3-7-14-9(5-8-15-2)4-6-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-1-methylsulfanyl-N-propylhexan-3-amine?
6,6,6-trifluoro-1-methylsulfanyl-N-propylhexan-3-amine has a molecular weight of 243.34 g/mol, XLogP of 3.45, 8 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-methylsulfanyl-N-propylhexan-3-amine is sourced from PubChem (CID 105156301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).