N-(2,2,2-trifluoroethyl)thian-4-amine

C7H12F3NS — CID 43394882

IUPACN-(2,2,2-trifluoroethyl)thian-4-amine
SMILESFC(F)(F)CNC1CCSCC1
InChIInChI=1S/C7H12F3NS/c8-7(9,10)5-11-6-1-3-12-4-2-6/h6,11H,1-5H2
InChIKeyQCBZFELAOGLNML-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.03
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)thian-4-amine

N-(2,2,2-trifluoroethyl)thian-4-amine (PubChem CID 43394882) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)thian-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)thian-4-amine
PubChem CID43394882
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC NameN-(2,2,2-trifluoroethyl)thian-4-amine
SMILESFC(F)(F)CNC1CCSCC1
InChIInChI=1S/C7H12F3NS/c8-7(9,10)5-11-6-1-3-12-4-2-6/h6,11H,1-5H2
InChIKeyQCBZFELAOGLNML-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Trifluoromethyl)thiomorpholine
CID 91618373
3-(Trifluoromethyl)-1,4-thiazepane
CID 66219998
3-Ethyl-2-methylthiomorpholine
CID 12517839
3-(Trifluoromethyl)thiomorpholine
CID 60751553
4-(Trifluoromethylthio)piperidine
CID 75530531
4-(2,2,2-Trifluoroethylsulfanyl)piperidine;hydrochloride
CID 118481424
3-(2,2-Difluoroethylsulfanyl)propyl-methanidylazanium
CID 155624802
N-methyltetrahydro-2H-thiopyran-4-amine
CID 21709907
N-(2,2,2-Trifluoroethyl)tetrahydrothiophen-3-amine
CID 24705029
4-((2,2,2-Trifluoroethyl)amino)tetrahydro-2H-thiopyran 1,1-dioxide
CID 43511410
1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine
CID 55272632
4-((2,2-Difluoroethyl)amino)tetrahydro-2H-thiopyran 1,1-dioxide
CID 60921636

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)thian-4-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)thian-4-amine (CID 43394882) is N-(2,2,2-trifluoroethyl)thian-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)thian-4-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)thian-4-amine is FC(F)(F)CNC1CCSCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)thian-4-amine?
The InChIKey is QCBZFELAOGLNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS/c8-7(9,10)5-11-6-1-3-12-4-2-6/h6,11H,1-5H2.
What are the key properties of N-(2,2,2-trifluoroethyl)thian-4-amine?
N-(2,2,2-trifluoroethyl)thian-4-amine has a molecular weight of 199.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)thian-4-amine is sourced from PubChem (CID 43394882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).