N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine

C7H6Cl2F3NS — CID 107961499

IUPACN-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1cc(Cl)sc1Cl
InChIInChI=1S/C7H6Cl2F3NS/c8-5-1-4(6(9)14-5)2-13-3-7(10,11)12/h1,13H,2-3H2
InChIKeyIXAILJNPKPFVSZ-UHFFFAOYSA-N
MW264.10 g/mol
LogP3.71
Rot. Bonds3

About N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine

N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 107961499) has the molecular formula C7H6Cl2F3NS and a molecular weight of 264.10 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID107961499
Molecular FormulaC7H6Cl2F3NS
Molecular Weight264.10 g/mol
Exact Mass262.96
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1cc(Cl)sc1Cl
InChIInChI=1S/C7H6Cl2F3NS/c8-5-1-4(6(9)14-5)2-13-3-7(10,11)12/h1,13H,2-3H2
InChIKeyIXAILJNPKPFVSZ-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.10
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine (CID 107961499) is N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1cc(Cl)sc1Cl.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is IXAILJNPKPFVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F3NS/c8-5-1-4(6(9)14-5)2-13-3-7(10,11)12/h1,13H,2-3H2.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 264.10 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 107961499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).