5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine

C8H16F3NS — CID 116627763

IUPAC5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine
SMILESCC(C)CC(N)CCSC(F)(F)F
InChIInChI=1S/C8H16F3NS/c1-6(2)5-7(12)3-4-13-8(9,10)11/h6-7H,3-5,12H2,1-2H3
InChIKeySNZJYECYXPTFJX-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.00
Rot. Bonds5

About 5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine

5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine (PubChem CID 116627763) has the molecular formula C8H16F3NS and a molecular weight of 215.28 g/mol. Its IUPAC name is 5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine.

Molecular Properties

Compound Name5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine
PubChem CID116627763
Molecular FormulaC8H16F3NS
Molecular Weight215.28 g/mol
Exact Mass215.10
IUPAC Name5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine
SMILESCC(C)CC(N)CCSC(F)(F)F
InChIInChI=1S/C8H16F3NS/c1-6(2)5-7(12)3-4-13-8(9,10)11/h6-7H,3-5,12H2,1-2H3
InChIKeySNZJYECYXPTFJX-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine?
The IUPAC name of 5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine (CID 116627763) is 5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine.
What is the SMILES notation for 5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine?
The canonical SMILES for 5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine is CC(C)CC(N)CCSC(F)(F)F.
What is the InChIKey of 5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine?
The InChIKey is SNZJYECYXPTFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NS/c1-6(2)5-7(12)3-4-13-8(9,10)11/h6-7H,3-5,12H2,1-2H3.
What are the key properties of 5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine?
5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine has a molecular weight of 215.28 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(trifluoromethylsulfanyl)hexan-3-amine is sourced from PubChem (CID 116627763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).