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

C11H17BrFNOS — CID 103392435

IUPAC4-[(4-bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)Cc1cc(Br)cs1
InChIInChI=1S/C11H17BrFNOS/c1-15-8-11(13,3-2-4-14)6-10-5-9(12)7-16-10/h5,7H,2-4,6,8,14H2,1H3
InChIKeyFFASFQIZNPFMCD-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.15
Rot. Bonds7

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

4-[(4-bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392435) has the molecular formula C11H17BrFNOS and a molecular weight of 310.23 g/mol. Its IUPAC name is 4-[(4-bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-[(4-bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392435
Molecular FormulaC11H17BrFNOS
Molecular Weight310.23 g/mol
Exact Mass309.02
IUPAC Name4-[(4-bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)Cc1cc(Br)cs1
InChIInChI=1S/C11H17BrFNOS/c1-15-8-11(13,3-2-4-14)6-10-5-9(12)7-16-10/h5,7H,2-4,6,8,14H2,1H3
InChIKeyFFASFQIZNPFMCD-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-[(4-bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (CID 103392435) is 4-[(4-bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-[(4-bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-[(4-bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)Cc1cc(Br)cs1.
What is the InChIKey of 4-[(4-bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is FFASFQIZNPFMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrFNOS/c1-15-8-11(13,3-2-4-14)6-10-5-9(12)7-16-10/h5,7H,2-4,6,8,14H2,1H3.
What are the key properties of 4-[(4-bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
4-[(4-bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 310.23 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).