1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine

C8H6Cl2F5NS — CID 43486739

IUPAC1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
SMILESCNC(c1cc(Cl)sc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6Cl2F5NS/c1-16-5(7(11,12)8(13,14)15)3-2-4(9)17-6(3)10/h2,5,16H,1H3
InChIKeyYFGYSISELJPOHY-UHFFFAOYSA-N
MW314.11 g/mol
LogP4.51
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine

1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine (PubChem CID 43486739) has the molecular formula C8H6Cl2F5NS and a molecular weight of 314.11 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
PubChem CID43486739
Molecular FormulaC8H6Cl2F5NS
Molecular Weight314.11 g/mol
Exact Mass312.95
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
SMILESCNC(c1cc(Cl)sc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6Cl2F5NS/c1-16-5(7(11,12)8(13,14)15)3-2-4(9)17-6(3)10/h2,5,16H,1H3
InChIKeyYFGYSISELJPOHY-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-Dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-amine
CID 43167346
1-(2,5-Dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 43248572
1-(2,5-Dichlorothiophen-3-yl)-2,2,2-trifluoroethanamine
CID 43344844
1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine
CID 43486746
1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 43486842
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
CID 43493027
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43493034
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43493129
1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 43497727
N-[1-(2,5-dichlorothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 43497731
1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 43497810
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607985

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine (CID 43486739) is 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine is CNC(c1cc(Cl)sc1Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The InChIKey is YFGYSISELJPOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F5NS/c1-16-5(7(11,12)8(13,14)15)3-2-4(9)17-6(3)10/h2,5,16H,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine has a molecular weight of 314.11 g/mol, XLogP of 4.51, 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)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine is sourced from PubChem (CID 43486739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).