4-fluoro-4-(methoxymethyl)-5-methylhexan-1-amine

C9H20FNO — CID 103392666

IUPAC4-fluoro-4-(methoxymethyl)-5-methylhexan-1-amine
SMILESCOCC(F)(CCCN)C(C)C
InChIInChI=1S/C9H20FNO/c1-8(2)9(10,7-12-3)5-4-6-11/h8H,4-7,11H2,1-3H3
InChIKeyMMGPMCIJYFXUKK-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.74
Rot. Bonds6

About 4-fluoro-4-(methoxymethyl)-5-methylhexan-1-amine

4-fluoro-4-(methoxymethyl)-5-methylhexan-1-amine (PubChem CID 103392666) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-5-methylhexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-5-methylhexan-1-amine
PubChem CID103392666
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name4-fluoro-4-(methoxymethyl)-5-methylhexan-1-amine
SMILESCOCC(F)(CCCN)C(C)C
InChIInChI=1S/C9H20FNO/c1-8(2)9(10,7-12-3)5-4-6-11/h8H,4-7,11H2,1-3H3
InChIKeyMMGPMCIJYFXUKK-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.74
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)-5-methylhexan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-5-methylhexan-1-amine (CID 103392666) is 4-fluoro-4-(methoxymethyl)-5-methylhexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-5-methylhexan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-5-methylhexan-1-amine is COCC(F)(CCCN)C(C)C.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-5-methylhexan-1-amine?
The InChIKey is MMGPMCIJYFXUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-8(2)9(10,7-12-3)5-4-6-11/h8H,4-7,11H2,1-3H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-5-methylhexan-1-amine?
4-fluoro-4-(methoxymethyl)-5-methylhexan-1-amine has a molecular weight of 177.26 g/mol, XLogP of 1.74, 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)-5-methylhexan-1-amine is sourced from PubChem (CID 103392666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).