4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine

C8H18FNO2 — CID 103392535

IUPAC4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine
SMILESCOCC(F)(CCCN)COC
InChIInChI=1S/C8H18FNO2/c1-11-6-8(9,7-12-2)4-3-5-10/h3-7,10H2,1-2H3
InChIKeyRFWIYKZCJDRRAL-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.73
Rot. Bonds7

About 4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine

4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine (PubChem CID 103392535) has the molecular formula C8H18FNO2 and a molecular weight of 179.23 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine
PubChem CID103392535
Molecular FormulaC8H18FNO2
Molecular Weight179.23 g/mol
Exact Mass179.13
IUPAC Name4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine
SMILESCOCC(F)(CCCN)COC
InChIInChI=1S/C8H18FNO2/c1-11-6-8(9,7-12-2)4-3-5-10/h3-7,10H2,1-2H3
InChIKeyRFWIYKZCJDRRAL-UHFFFAOYSA-N
XLogP0.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine (CID 103392535) is 4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine is COCC(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine?
The InChIKey is RFWIYKZCJDRRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2/c1-11-6-8(9,7-12-2)4-3-5-10/h3-7,10H2,1-2H3.
What are the key properties of 4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine?
4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine has a molecular weight of 179.23 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine is sourced from PubChem (CID 103392535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).