4-fluoro-4-(methoxymethyl)heptan-1-amine

C9H20FNO — CID 103392513

IUPAC4-fluoro-4-(methoxymethyl)heptan-1-amine
SMILESCCCC(F)(CCCN)COC
InChIInChI=1S/C9H20FNO/c1-3-5-9(10,8-12-2)6-4-7-11/h3-8,11H2,1-2H3
InChIKeyJUQAPNLVRMHLMX-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.88
Rot. Bonds7

About 4-fluoro-4-(methoxymethyl)heptan-1-amine

4-fluoro-4-(methoxymethyl)heptan-1-amine (PubChem CID 103392513) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)heptan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)heptan-1-amine
PubChem CID103392513
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name4-fluoro-4-(methoxymethyl)heptan-1-amine
SMILESCCCC(F)(CCCN)COC
InChIInChI=1S/C9H20FNO/c1-3-5-9(10,8-12-2)6-4-7-11/h3-8,11H2,1-2H3
InChIKeyJUQAPNLVRMHLMX-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)heptan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)heptan-1-amine (CID 103392513) is 4-fluoro-4-(methoxymethyl)heptan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)heptan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)heptan-1-amine is CCCC(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)heptan-1-amine?
The InChIKey is JUQAPNLVRMHLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-3-5-9(10,8-12-2)6-4-7-11/h3-8,11H2,1-2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)heptan-1-amine?
4-fluoro-4-(methoxymethyl)heptan-1-amine has a molecular weight of 177.26 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)heptan-1-amine is sourced from PubChem (CID 103392513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).