1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine

C10H13Cl2F2NOS — CID 103082614

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2F2NOS/c1-6(7-4-8(11)17-10(7)12)15-2-3-16-5-9(13)14/h4,6,9,15H,2-3,5H2,1H3
InChIKeyUTGQEYOPTYWWBL-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.99
Rot. Bonds7

About 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine (PubChem CID 103082614) has the molecular formula C10H13Cl2F2NOS and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
PubChem CID103082614
Molecular FormulaC10H13Cl2F2NOS
Molecular Weight304.19 g/mol
Exact Mass303.01
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2F2NOS/c1-6(7-4-8(11)17-10(7)12)15-2-3-16-5-9(13)14/h4,6,9,15H,2-3,5H2,1H3
InChIKeyUTGQEYOPTYWWBL-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.99
H-Bond Donors ≤ 51
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 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine (CID 103082614) is 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine is CC(NCCOCC(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine?
The InChIKey is UTGQEYOPTYWWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2F2NOS/c1-6(7-4-8(11)17-10(7)12)15-2-3-16-5-9(13)14/h4,6,9,15H,2-3,5H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine has a molecular weight of 304.19 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 103082614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).