4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine

C8H14FNO — CID 103392655

IUPAC4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine
SMILESC#CC(F)(CCCN)COC
InChIInChI=1S/C8H14FNO/c1-3-8(9,7-11-2)5-4-6-10/h1H,4-7,10H2,2H3
InChIKeyJMSPVVDJEQEMRY-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.71
Rot. Bonds5

About 4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine

4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine (PubChem CID 103392655) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine
PubChem CID103392655
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine
SMILESC#CC(F)(CCCN)COC
InChIInChI=1S/C8H14FNO/c1-3-8(9,7-11-2)5-4-6-10/h1H,4-7,10H2,2H3
InChIKeyJMSPVVDJEQEMRY-UHFFFAOYSA-N
XLogP0.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine (CID 103392655) is 4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine is C#CC(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine?
The InChIKey is JMSPVVDJEQEMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-3-8(9,7-11-2)5-4-6-10/h1H,4-7,10H2,2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine?
4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine has a molecular weight of 159.20 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)hex-5-yn-1-amine is sourced from PubChem (CID 103392655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).