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

C11H17ClFNOS — CID 103392670

IUPAC4-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)Cc1ccc(Cl)s1
InChIInChI=1S/C11H17ClFNOS/c1-15-8-11(13,5-2-6-14)7-9-3-4-10(12)16-9/h3-4H,2,5-8,14H2,1H3
InChIKeyMNYLCYHSBNEWMN-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.04
Rot. Bonds7

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

4-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392670) has the molecular formula C11H17ClFNOS and a molecular weight of 265.78 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392670
Molecular FormulaC11H17ClFNOS
Molecular Weight265.78 g/mol
Exact Mass265.07
IUPAC Name4-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)Cc1ccc(Cl)s1
InChIInChI=1S/C11H17ClFNOS/c1-15-8-11(13,5-2-6-14)7-9-3-4-10(12)16-9/h3-4H,2,5-8,14H2,1H3
InChIKeyMNYLCYHSBNEWMN-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.04
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)methyl]-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (CID 103392670) is 4-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)Cc1ccc(Cl)s1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is MNYLCYHSBNEWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFNOS/c1-15-8-11(13,5-2-6-14)7-9-3-4-10(12)16-9/h3-4H,2,5-8,14H2,1H3.
What are the key properties of 4-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
4-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 265.78 g/mol, XLogP of 3.04, 7 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)methyl]-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).