N-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine

C13H12F3NOS — CID 66350149

IUPACN-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine
SMILESCC(Nc1ccsc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H12F3NOS/c1-9(17-11-6-7-19-8-11)10-2-4-12(5-3-10)18-13(14,15)16/h2-9,17H,1H3
InChIKeyAAWDHKPBHWGUQS-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.82
Rot. Bonds4

About N-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine

N-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine (PubChem CID 66350149) has the molecular formula C13H12F3NOS and a molecular weight of 287.31 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine
PubChem CID66350149
Molecular FormulaC13H12F3NOS
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC NameN-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine
SMILESCC(Nc1ccsc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H12F3NOS/c1-9(17-11-6-7-19-8-11)10-2-4-12(5-3-10)18-13(14,15)16/h2-9,17H,1H3
InChIKeyAAWDHKPBHWGUQS-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine?
The IUPAC name of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine (CID 66350149) is N-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine.
What is the SMILES notation for N-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine?
The canonical SMILES for N-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine is CC(Nc1ccsc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine?
The InChIKey is AAWDHKPBHWGUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NOS/c1-9(17-11-6-7-19-8-11)10-2-4-12(5-3-10)18-13(14,15)16/h2-9,17H,1H3.
What are the key properties of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine?
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine has a molecular weight of 287.31 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethoxy)phenyl]ethyl]thiophen-3-amine is sourced from PubChem (CID 66350149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).