1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine

C11H16ClF2NOS — CID 103149716

IUPAC1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
SMILESCCNC(CCOCC(F)F)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClF2NOS/c1-2-15-8(5-6-16-7-11(13)14)9-3-4-10(12)17-9/h3-4,8,11,15H,2,5-7H2,1H3
InChIKeyAGGORLZIWPVVLU-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.72
Rot. Bonds8

About 1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine

1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine (PubChem CID 103149716) has the molecular formula C11H16ClF2NOS and a molecular weight of 283.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
PubChem CID103149716
Molecular FormulaC11H16ClF2NOS
Molecular Weight283.77 g/mol
Exact Mass283.06
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
SMILESCCNC(CCOCC(F)F)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClF2NOS/c1-2-15-8(5-6-16-7-11(13)14)9-3-4-10(12)17-9/h3-4,8,11,15H,2,5-7H2,1H3
InChIKeyAGGORLZIWPVVLU-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.72
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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Related Compounds

3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine
CID 103207287
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine
CID 103149707
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43492048
1-(4-chloro-2,5-dimethylphenyl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103207627
1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
CID 104987378
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028730
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine
CID 103149543
[1-(5-chlorothiophen-2-yl)-3-propoxypropyl]hydrazine
CID 105328204
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 103149759
1-(5-chloro-4-methylthiophen-2-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207998
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 103149624
1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201788

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine (CID 103149716) is 1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine is CCNC(CCOCC(F)F)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine?
The InChIKey is AGGORLZIWPVVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF2NOS/c1-2-15-8(5-6-16-7-11(13)14)9-3-4-10(12)17-9/h3-4,8,11,15H,2,5-7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine?
1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine has a molecular weight of 283.77 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine is sourced from PubChem (CID 103149716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).