5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine

C10H18F3NS — CID 105174337

IUPAC5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine
SMILESCC1(C(N)CCCC(F)(F)F)CCCS1
InChIInChI=1S/C10H18F3NS/c1-9(5-3-7-15-9)8(14)4-2-6-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyQHECSDWRKHUXLM-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.33
Rot. Bonds4

About 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine

5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine (PubChem CID 105174337) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine
PubChem CID105174337
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine
SMILESCC1(C(N)CCCC(F)(F)F)CCCS1
InChIInChI=1S/C10H18F3NS/c1-9(5-3-7-15-9)8(14)4-2-6-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyQHECSDWRKHUXLM-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.33
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-(2-methylthiolan-2-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine (CID 105174337) is 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine is CC1(C(N)CCCC(F)(F)F)CCCS1.
What is the InChIKey of 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine?
The InChIKey is QHECSDWRKHUXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-9(5-3-7-15-9)8(14)4-2-6-10(11,12)13/h8H,2-7,14H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine?
5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.33, 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-(2-methylthiolan-2-yl)pentan-1-amine is sourced from PubChem (CID 105174337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).