1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine

C10H11ClF5NS — CID 43496952

IUPAC1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Cl)s1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11ClF5NS/c1-2-5-17-8(6-3-4-7(11)18-6)9(12,13)10(14,15)16/h3-4,8,17H,2,5H2,1H3
InChIKeyJQSWUZKJFGAMLD-UHFFFAOYSA-N
MW307.72 g/mol
LogP4.64
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine

1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine (PubChem CID 43496952) has the molecular formula C10H11ClF5NS and a molecular weight of 307.72 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
PubChem CID43496952
Molecular FormulaC10H11ClF5NS
Molecular Weight307.72 g/mol
Exact Mass307.02
IUPAC Name1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Cl)s1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11ClF5NS/c1-2-5-17-8(6-3-4-7(11)18-6)9(12,13)10(14,15)16/h3-4,8,17H,2,5H2,1H3
InChIKeyJQSWUZKJFGAMLD-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.72
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine (CID 43496952) is 1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine is CCCNC(c1ccc(Cl)s1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
The InChIKey is JQSWUZKJFGAMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF5NS/c1-2-5-17-8(6-3-4-7(11)18-6)9(12,13)10(14,15)16/h3-4,8,17H,2,5H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine has a molecular weight of 307.72 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine is sourced from PubChem (CID 43496952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).