2,2,2-trifluoro-1-thiophen-3-ylethanamine

C6H6F3NS — CID 46785673

IUPAC2,2,2-trifluoro-1-thiophen-3-ylethanamine
SMILESNC(c1ccsc1)C(F)(F)F
InChIInChI=1S/C6H6F3NS/c7-6(8,9)5(10)4-1-2-11-3-4/h1-3,5H,10H2
InChIKeyMOYLBHXBCYMVJQ-UHFFFAOYSA-N
MW181.18 g/mol
LogP2.31
Rot. Bonds1

About 2,2,2-trifluoro-1-thiophen-3-ylethanamine

2,2,2-trifluoro-1-thiophen-3-ylethanamine (PubChem CID 46785673) has the molecular formula C6H6F3NS and a molecular weight of 181.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-thiophen-3-ylethanamine
PubChem CID46785673
Molecular FormulaC6H6F3NS
Molecular Weight181.18 g/mol
Exact Mass181.02
IUPAC Name2,2,2-trifluoro-1-thiophen-3-ylethanamine
SMILESNC(c1ccsc1)C(F)(F)F
InChIInChI=1S/C6H6F3NS/c7-6(8,9)5(10)4-1-2-11-3-4/h1-3,5H,10H2
InChIKeyMOYLBHXBCYMVJQ-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1,1-trifluoropropan-2-yl)thiophene
CID 83381744
(1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine
CID 55296383
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine
CID 64567617
3-(1-bromo-4,4,4-trifluorobutan-2-yl)thiophene
CID 121208230
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 138107889
(2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine
CID 94413392
(1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171313205
(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210314
1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol
CID 158976619
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171207818
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-thiophen-3-ylethanamine?
The IUPAC name of 2,2,2-trifluoro-1-thiophen-3-ylethanamine (CID 46785673) is 2,2,2-trifluoro-1-thiophen-3-ylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-thiophen-3-ylethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-thiophen-3-ylethanamine is NC(c1ccsc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-thiophen-3-ylethanamine?
The InChIKey is MOYLBHXBCYMVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS/c7-6(8,9)5(10)4-1-2-11-3-4/h1-3,5H,10H2.
What are the key properties of 2,2,2-trifluoro-1-thiophen-3-ylethanamine?
2,2,2-trifluoro-1-thiophen-3-ylethanamine has a molecular weight of 181.18 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-thiophen-3-ylethanamine is sourced from PubChem (CID 46785673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).