1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C10H12BrF4NOS — CID 103475529

IUPAC1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)c1cscc1Br
InChIInChI=1S/C10H12BrF4NOS/c1-16-8(6-3-18-4-7(6)11)2-17-5-10(14,15)9(12)13/h3-4,8-9,16H,2,5H2,1H3
InChIKeyQMAALDJGNZZZBC-UHFFFAOYSA-N
MW350.18 g/mol
LogP3.69
Rot. Bonds7

About 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475529) has the molecular formula C10H12BrF4NOS and a molecular weight of 350.18 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475529
Molecular FormulaC10H12BrF4NOS
Molecular Weight350.18 g/mol
Exact Mass348.98
IUPAC Name1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)c1cscc1Br
InChIInChI=1S/C10H12BrF4NOS/c1-16-8(6-3-18-4-7(6)11)2-17-5-10(14,15)9(12)13/h3-4,8-9,16H,2,5H2,1H3
InChIKeyQMAALDJGNZZZBC-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 53.69
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 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475529) is 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CNC(COCC(F)(F)C(F)F)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is QMAALDJGNZZZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF4NOS/c1-16-8(6-3-18-4-7(6)11)2-17-5-10(14,15)9(12)13/h3-4,8-9,16H,2,5H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 350.18 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).