1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine

C9H9Cl2F4NS — CID 79660890

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCNC(c1cc(Cl)sc1Cl)C(F)(F)C(F)F
InChIInChI=1S/C9H9Cl2F4NS/c1-2-16-6(9(14,15)8(12)13)4-3-5(10)17-7(4)11/h3,6,8,16H,2H2,1H3
InChIKeyQJBODHJJXXJDDN-UHFFFAOYSA-N
MW310.14 g/mol
LogP4.61
Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine

1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 79660890) has the molecular formula C9H9Cl2F4NS and a molecular weight of 310.14 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID79660890
Molecular FormulaC9H9Cl2F4NS
Molecular Weight310.14 g/mol
Exact Mass308.98
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCNC(c1cc(Cl)sc1Cl)C(F)(F)C(F)F
InChIInChI=1S/C9H9Cl2F4NS/c1-2-16-6(9(14,15)8(12)13)4-3-5(10)17-7(4)11/h3,6,8,16H,2H2,1H3
InChIKeyQJBODHJJXXJDDN-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79659826
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969347
N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 65018310
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493095
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 107968621
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79991335
N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 79660521
[1-(2,5-dichlorothiophen-3-yl)-2,2-dimethylpropyl]hydrazine
CID 107970279
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 103787665
6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one
CID 79648069
1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine
CID 107968368

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine (CID 79660890) is 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine is CCNC(c1cc(Cl)sc1Cl)C(F)(F)C(F)F.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is QJBODHJJXXJDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F4NS/c1-2-16-6(9(14,15)8(12)13)4-3-5(10)17-7(4)11/h3,6,8,16H,2H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 310.14 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 79660890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).