4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine

C10H15ClFNOS — CID 103392429

IUPAC4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClFNOS/c1-14-7-10(12,5-2-6-13)8-3-4-9(11)15-8/h3-4H,2,5-7,13H2,1H3
InChIKeyJSFFKJALVGWBJZ-UHFFFAOYSA-N
MW251.75 g/mol
LogP2.95
Rot. Bonds6

About 4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine

4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392429) has the molecular formula C10H15ClFNOS and a molecular weight of 251.75 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392429
Molecular FormulaC10H15ClFNOS
Molecular Weight251.75 g/mol
Exact Mass251.05
IUPAC Name4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClFNOS/c1-14-7-10(12,5-2-6-13)8-3-4-9(11)15-8/h3-4H,2,5-7,13H2,1H3
InChIKeyJSFFKJALVGWBJZ-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine (CID 103392429) is 4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)c1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is JSFFKJALVGWBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFNOS/c1-14-7-10(12,5-2-6-13)8-3-4-9(11)15-8/h3-4H,2,5-7,13H2,1H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine?
4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 251.75 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).