N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine

C11H20F3NS — CID 105156297

IUPACN-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1(C)CCCS1
InChIInChI=1S/C11H20F3NS/c1-3-15-9(5-7-11(12,13)14)10(2)6-4-8-16-10/h9,15H,3-8H2,1-2H3
InChIKeyCBQLUFUDCMAJBF-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.59
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine (PubChem CID 105156297) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine
PubChem CID105156297
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1(C)CCCS1
InChIInChI=1S/C11H20F3NS/c1-3-15-9(5-7-11(12,13)14)10(2)6-4-8-16-10/h9,15H,3-8H2,1-2H3
InChIKeyCBQLUFUDCMAJBF-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine (CID 105156297) is N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine is CCNC(CCC(F)(F)F)C1(C)CCCS1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine?
The InChIKey is CBQLUFUDCMAJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-3-15-9(5-7-11(12,13)14)10(2)6-4-8-16-10/h9,15H,3-8H2,1-2H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine is sourced from PubChem (CID 105156297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).