N-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C11H14Cl2F3NOS — CID 103207388

IUPACN-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2F3NOS/c1-2-3-17-8(5-18-6-11(14,15)16)7-4-9(12)19-10(7)13/h4,8,17H,2-3,5-6H2,1H3
InChIKeyFIXIXYURQDQXAA-UHFFFAOYSA-N
MW336.21 g/mol
LogP4.67
Rot. Bonds7

About N-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 103207388) has the molecular formula C11H14Cl2F3NOS and a molecular weight of 336.21 g/mol. Its IUPAC name is N-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID103207388
Molecular FormulaC11H14Cl2F3NOS
Molecular Weight336.21 g/mol
Exact Mass335.01
IUPAC NameN-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2F3NOS/c1-2-3-17-8(5-18-6-11(14,15)16)7-4-9(12)19-10(7)13/h4,8,17H,2-3,5-6H2,1H3
InChIKeyFIXIXYURQDQXAA-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 103207388) is N-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is FIXIXYURQDQXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2F3NOS/c1-2-3-17-8(5-18-6-11(14,15)16)7-4-9(12)19-10(7)13/h4,8,17H,2-3,5-6H2,1H3.
What are the key properties of N-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 336.21 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103207388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).