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

C8H16FNO — CID 103392618

IUPAC4-fluoro-4-(methoxymethyl)hex-5-en-1-amine
SMILESC=CC(F)(CCCN)COC
InChIInChI=1S/C8H16FNO/c1-3-8(9,7-11-2)5-4-6-10/h3H,1,4-7,10H2,2H3
InChIKeyOVYGKRZCLXSGEA-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.27
Rot. Bonds6

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

4-fluoro-4-(methoxymethyl)hex-5-en-1-amine (PubChem CID 103392618) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)hex-5-en-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)hex-5-en-1-amine
PubChem CID103392618
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name4-fluoro-4-(methoxymethyl)hex-5-en-1-amine
SMILESC=CC(F)(CCCN)COC
InChIInChI=1S/C8H16FNO/c1-3-8(9,7-11-2)5-4-6-10/h3H,1,4-7,10H2,2H3
InChIKeyOVYGKRZCLXSGEA-UHFFFAOYSA-N
XLogP1.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640423
4-Fluoro-4-(methoxymethyl)hept-6-en-1-amine
CID 103392425
4-Fluoro-4-(methoxymethyl)-6-methylhept-5-en-1-amine
CID 103392510
4-Fluoro-4-(methoxymethyl)-5-methylhex-5-en-1-amine
CID 103392660
2-Ethenyl-5-ethoxy-2-methylpentan-1-amine
CID 102640340
2-Ethenyl-5-methoxy-2-methylpentan-1-amine
CID 102640398

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)hex-5-en-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)hex-5-en-1-amine (CID 103392618) is 4-fluoro-4-(methoxymethyl)hex-5-en-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)hex-5-en-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)hex-5-en-1-amine is C=CC(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)hex-5-en-1-amine?
The InChIKey is OVYGKRZCLXSGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-3-8(9,7-11-2)5-4-6-10/h3H,1,4-7,10H2,2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)hex-5-en-1-amine?
4-fluoro-4-(methoxymethyl)hex-5-en-1-amine has a molecular weight of 161.22 g/mol, XLogP of 1.27, 6 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-en-1-amine is sourced from PubChem (CID 103392618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).