1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine

C6H8F3NS — CID 89098999

IUPAC1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine
SMILESNC(C1CC=CS1)C(F)(F)F
InChIInChI=1S/C6H8F3NS/c7-6(8,9)5(10)4-2-1-3-11-4/h1,3-5H,2,10H2
InChIKeyYACMELHTHWGFHQ-UHFFFAOYSA-N
MW183.20 g/mol
LogP1.90
Rot. Bonds1

About 1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine

1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine (PubChem CID 89098999) has the molecular formula C6H8F3NS and a molecular weight of 183.20 g/mol. Its IUPAC name is 1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine
PubChem CID89098999
Molecular FormulaC6H8F3NS
Molecular Weight183.20 g/mol
Exact Mass183.03
IUPAC Name1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine
SMILESNC(C1CC=CS1)C(F)(F)F
InChIInChI=1S/C6H8F3NS/c7-6(8,9)5(10)4-2-1-3-11-4/h1,3-5H,2,10H2
InChIKeyYACMELHTHWGFHQ-UHFFFAOYSA-N
XLogP1.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine (CID 89098999) is 1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine is NC(C1CC=CS1)C(F)(F)F.
What is the InChIKey of 1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine?
The InChIKey is YACMELHTHWGFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NS/c7-6(8,9)5(10)4-2-1-3-11-4/h1,3-5H,2,10H2.
What are the key properties of 1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine?
1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine has a molecular weight of 183.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrothiophen-2-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 89098999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).