N-[4-(trifluoromethyl)phenyl]thiolan-3-amine

C11H12F3NS — CID 43192848

IUPACN-[4-(trifluoromethyl)phenyl]thiolan-3-amine
SMILESFC(F)(F)c1ccc(NC2CCSC2)cc1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)8-1-3-9(4-2-8)15-10-5-6-16-7-10/h1-4,10,15H,5-7H2
InChIKeySWDPYIXQMHLVNR-UHFFFAOYSA-N
MW247.28 g/mol
LogP3.62
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]thiolan-3-amine

N-[4-(trifluoromethyl)phenyl]thiolan-3-amine (PubChem CID 43192848) has the molecular formula C11H12F3NS and a molecular weight of 247.28 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]thiolan-3-amine
PubChem CID43192848
Molecular FormulaC11H12F3NS
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC NameN-[4-(trifluoromethyl)phenyl]thiolan-3-amine
SMILESFC(F)(F)c1ccc(NC2CCSC2)cc1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)8-1-3-9(4-2-8)15-10-5-6-16-7-10/h1-4,10,15H,5-7H2
InChIKeySWDPYIXQMHLVNR-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]thiolan-3-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]thiolan-3-amine (CID 43192848) is N-[4-(trifluoromethyl)phenyl]thiolan-3-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]thiolan-3-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]thiolan-3-amine is FC(F)(F)c1ccc(NC2CCSC2)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]thiolan-3-amine?
The InChIKey is SWDPYIXQMHLVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NS/c12-11(13,14)8-1-3-9(4-2-8)15-10-5-6-16-7-10/h1-4,10,15H,5-7H2.
What are the key properties of N-[4-(trifluoromethyl)phenyl]thiolan-3-amine?
N-[4-(trifluoromethyl)phenyl]thiolan-3-amine has a molecular weight of 247.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]thiolan-3-amine is sourced from PubChem (CID 43192848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).