4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine

C11H18FNOS — CID 103392365

IUPAC4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine
SMILESCOCC(F)(CCCN)Cc1cccs1
InChIInChI=1S/C11H18FNOS/c1-14-9-11(12,5-3-6-13)8-10-4-2-7-15-10/h2,4,7H,3,5-6,8-9,13H2,1H3
InChIKeyWQSUGKOESDOHLA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.38
Rot. Bonds7

About 4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine

4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine (PubChem CID 103392365) has the molecular formula C11H18FNOS and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine
PubChem CID103392365
Molecular FormulaC11H18FNOS
Molecular Weight231.34 g/mol
Exact Mass231.11
IUPAC Name4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine
SMILESCOCC(F)(CCCN)Cc1cccs1
InChIInChI=1S/C11H18FNOS/c1-14-9-11(12,5-3-6-13)8-10-4-2-7-15-10/h2,4,7H,3,5-6,8-9,13H2,1H3
InChIKeyWQSUGKOESDOHLA-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine (CID 103392365) is 4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine is COCC(F)(CCCN)Cc1cccs1.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine?
The InChIKey is WQSUGKOESDOHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNOS/c1-14-9-11(12,5-3-6-13)8-10-4-2-7-15-10/h2,4,7H,3,5-6,8-9,13H2,1H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine?
4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine is sourced from PubChem (CID 103392365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).