2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine

C9H11F4NOS — CID 103474856

IUPAC2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine
SMILESNC(COCC(F)(F)C(F)F)c1ccsc1
InChIInChI=1S/C9H11F4NOS/c10-8(11)9(12,13)5-15-3-7(14)6-1-2-16-4-6/h1-2,4,7-8H,3,5,14H2
InChIKeyMTXWTNIMSPSUBE-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.66
Rot. Bonds6

About 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine

2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine (PubChem CID 103474856) has the molecular formula C9H11F4NOS and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine
PubChem CID103474856
Molecular FormulaC9H11F4NOS
Molecular Weight257.25 g/mol
Exact Mass257.05
IUPAC Name2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine
SMILESNC(COCC(F)(F)C(F)F)c1ccsc1
InChIInChI=1S/C9H11F4NOS/c10-8(11)9(12,13)5-15-3-7(14)6-1-2-16-4-6/h1-2,4,7-8H,3,5,14H2
InChIKeyMTXWTNIMSPSUBE-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine (CID 103474856) is 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine is NC(COCC(F)(F)C(F)F)c1ccsc1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine?
The InChIKey is MTXWTNIMSPSUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NOS/c10-8(11)9(12,13)5-15-3-7(14)6-1-2-16-4-6/h1-2,4,7-8H,3,5,14H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine?
2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine has a molecular weight of 257.25 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-3-ylethanamine is sourced from PubChem (CID 103474856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).