1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

C13H10Cl2F3NS — CID 43486860

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H10Cl2F3NS/c1-19-11(9-6-10(14)20-12(9)15)7-3-2-4-8(5-7)13(16,17)18/h2-6,11,19H,1H3
InChIKeyYDODUYOUMIVWOC-UHFFFAOYSA-N
MW340.20 g/mol
LogP5.38
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 43486860) has the molecular formula C13H10Cl2F3NS and a molecular weight of 340.20 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID43486860
Molecular FormulaC13H10Cl2F3NS
Molecular Weight340.20 g/mol
Exact Mass338.99
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H10Cl2F3NS/c1-19-11(9-6-10(14)20-12(9)15)7-3-2-4-8(5-7)13(16,17)18/h2-6,11,19H,1H3
InChIKeyYDODUYOUMIVWOC-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.20
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (CID 43486860) is 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is CNC(c1cccc(C(F)(F)F)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is YDODUYOUMIVWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3NS/c1-19-11(9-6-10(14)20-12(9)15)7-3-2-4-8(5-7)13(16,17)18/h2-6,11,19H,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 340.20 g/mol, XLogP of 5.38, 3 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-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43486860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).