2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine

C7H9F3N2S — CID 66385889

IUPAC2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCC(F)(F)F
InChIInChI=1S/C7H9F3N2S/c8-7(9,10)4-12-3-6-5(11)1-2-13-6/h1-2,12H,3-4,11H2
InChIKeyQPNNCPBXMSYNDZ-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.98
Rot. Bonds3

About 2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine

2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine (PubChem CID 66385889) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine
PubChem CID66385889
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCC(F)(F)F
InChIInChI=1S/C7H9F3N2S/c8-7(9,10)4-12-3-6-5(11)1-2-13-6/h1-2,12H,3-4,11H2
InChIKeyQPNNCPBXMSYNDZ-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine (CID 66385889) is 2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine is Nc1ccsc1CNCC(F)(F)F.
What is the InChIKey of 2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine?
The InChIKey is QPNNCPBXMSYNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c8-7(9,10)4-12-3-6-5(11)1-2-13-6/h1-2,12H,3-4,11H2.
What are the key properties of 2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine?
2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine has a molecular weight of 210.22 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66385889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).