2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine

C13H12F3NS — CID 54904031

IUPAC2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
SMILESFC(F)(F)CNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C13H12F3NS/c14-13(15,16)9-17-7-12-6-11(8-18-12)10-4-2-1-3-5-10/h1-6,8,17H,7,9H2
InChIKeyXIIUUQMIMUZJOR-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.07
Rot. Bonds4

About 2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine (PubChem CID 54904031) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
PubChem CID54904031
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC Name2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
SMILESFC(F)(F)CNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C13H12F3NS/c14-13(15,16)9-17-7-12-6-11(8-18-12)10-4-2-1-3-5-10/h1-6,8,17H,7,9H2
InChIKeyXIIUUQMIMUZJOR-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine (CID 54904031) is 2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine is FC(F)(F)CNCc1cc(-c2ccccc2)cs1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
The InChIKey is XIIUUQMIMUZJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c14-13(15,16)9-17-7-12-6-11(8-18-12)10-4-2-1-3-5-10/h1-6,8,17H,7,9H2.
What are the key properties of 2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine has a molecular weight of 271.31 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 54904031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).