7,7,7-trifluoro-1-methylsulfanylheptan-3-amine

C8H16F3NS — CID 105174470

IUPAC7,7,7-trifluoro-1-methylsulfanylheptan-3-amine
SMILESCSCCC(N)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NS/c1-13-6-4-7(12)3-2-5-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyNMYXGQDABQLCAH-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.80
Rot. Bonds6

About 7,7,7-trifluoro-1-methylsulfanylheptan-3-amine

7,7,7-trifluoro-1-methylsulfanylheptan-3-amine (PubChem CID 105174470) has the molecular formula C8H16F3NS and a molecular weight of 215.28 g/mol. Its IUPAC name is 7,7,7-trifluoro-1-methylsulfanylheptan-3-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-1-methylsulfanylheptan-3-amine
PubChem CID105174470
Molecular FormulaC8H16F3NS
Molecular Weight215.28 g/mol
Exact Mass215.10
IUPAC Name7,7,7-trifluoro-1-methylsulfanylheptan-3-amine
SMILESCSCCC(N)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NS/c1-13-6-4-7(12)3-2-5-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyNMYXGQDABQLCAH-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

Analyze 7,7,7-trifluoro-1-methylsulfanylheptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-1-methylsulfanylheptan-3-amine?
The IUPAC name of 7,7,7-trifluoro-1-methylsulfanylheptan-3-amine (CID 105174470) is 7,7,7-trifluoro-1-methylsulfanylheptan-3-amine.
What is the SMILES notation for 7,7,7-trifluoro-1-methylsulfanylheptan-3-amine?
The canonical SMILES for 7,7,7-trifluoro-1-methylsulfanylheptan-3-amine is CSCCC(N)CCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-1-methylsulfanylheptan-3-amine?
The InChIKey is NMYXGQDABQLCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NS/c1-13-6-4-7(12)3-2-5-8(9,10)11/h7H,2-6,12H2,1H3.
What are the key properties of 7,7,7-trifluoro-1-methylsulfanylheptan-3-amine?
7,7,7-trifluoro-1-methylsulfanylheptan-3-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 7,7,7-trifluoro-1-methylsulfanylheptan-3-amine is sourced from PubChem (CID 105174470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).