4-fluoro-4-(methoxymethyl)non-8-yn-1-amine

C11H20FNO — CID 103392451

IUPAC4-fluoro-4-(methoxymethyl)non-8-yn-1-amine
SMILESC#CCCCC(F)(CCCN)COC
InChIInChI=1S/C11H20FNO/c1-3-4-5-7-11(12,10-14-2)8-6-9-13/h1H,4-10,13H2,2H3
InChIKeyPGWBLKKAHAGMIH-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.88
Rot. Bonds8

About 4-fluoro-4-(methoxymethyl)non-8-yn-1-amine

4-fluoro-4-(methoxymethyl)non-8-yn-1-amine (PubChem CID 103392451) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)non-8-yn-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)non-8-yn-1-amine
PubChem CID103392451
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name4-fluoro-4-(methoxymethyl)non-8-yn-1-amine
SMILESC#CCCCC(F)(CCCN)COC
InChIInChI=1S/C11H20FNO/c1-3-4-5-7-11(12,10-14-2)8-6-9-13/h1H,4-10,13H2,2H3
InChIKeyPGWBLKKAHAGMIH-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)non-8-yn-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)non-8-yn-1-amine (CID 103392451) is 4-fluoro-4-(methoxymethyl)non-8-yn-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)non-8-yn-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)non-8-yn-1-amine is C#CCCCC(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)non-8-yn-1-amine?
The InChIKey is PGWBLKKAHAGMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-3-4-5-7-11(12,10-14-2)8-6-9-13/h1H,4-10,13H2,2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)non-8-yn-1-amine?
4-fluoro-4-(methoxymethyl)non-8-yn-1-amine has a molecular weight of 201.28 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)non-8-yn-1-amine is sourced from PubChem (CID 103392451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).