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

C8H11F3N2S — CID 66386408

IUPAC2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCC(F)(F)F
InChIInChI=1S/C8H11F3N2S/c9-8(10,11)2-3-13-5-7-6(12)1-4-14-7/h1,4,13H,2-3,5,12H2
InChIKeyZNKRMERTGSGSIK-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.37
Rot. Bonds4

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

2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-amine (PubChem CID 66386408) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-amine
PubChem CID66386408
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCC(F)(F)F
InChIInChI=1S/C8H11F3N2S/c9-8(10,11)2-3-13-5-7-6(12)1-4-14-7/h1,4,13H,2-3,5,12H2
InChIKeyZNKRMERTGSGSIK-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-amine (CID 66386408) is 2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-amine is Nc1ccsc1CNCCC(F)(F)F.
What is the InChIKey of 2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-amine?
The InChIKey is ZNKRMERTGSGSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c9-8(10,11)2-3-13-5-7-6(12)1-4-14-7/h1,4,13H,2-3,5,12H2.
What are the key properties of 2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-amine?
2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-amine has a molecular weight of 224.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66386408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).