2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine

C7H11F6NO — CID 129291505

IUPAC2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine
SMILESCOC(F)(F)CC(F)(F)CC(F)(F)CN
InChIInChI=1S/C7H11F6NO/c1-15-7(12,13)3-5(8,9)2-6(10,11)4-14/h2-4,14H2,1H3
InChIKeyUQOANNWTAJVKEB-UHFFFAOYSA-N
MW239.16 g/mol
LogP2.24
Rot. Bonds6

About 2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine

2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine (PubChem CID 129291505) has the molecular formula C7H11F6NO and a molecular weight of 239.16 g/mol. Its IUPAC name is 2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine.

Molecular Properties

Compound Name2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine
PubChem CID129291505
Molecular FormulaC7H11F6NO
Molecular Weight239.16 g/mol
Exact Mass239.07
IUPAC Name2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine
SMILESCOC(F)(F)CC(F)(F)CC(F)(F)CN
InChIInChI=1S/C7H11F6NO/c1-15-7(12,13)3-5(8,9)2-6(10,11)4-14/h2-4,14H2,1H3
InChIKeyUQOANNWTAJVKEB-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine?
The IUPAC name of 2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine (CID 129291505) is 2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine.
What is the SMILES notation for 2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine?
The canonical SMILES for 2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine is COC(F)(F)CC(F)(F)CC(F)(F)CN.
What is the InChIKey of 2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine?
The InChIKey is UQOANNWTAJVKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6NO/c1-15-7(12,13)3-5(8,9)2-6(10,11)4-14/h2-4,14H2,1H3.
What are the key properties of 2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine?
2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine has a molecular weight of 239.16 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6-hexafluoro-6-methoxyhexan-1-amine is sourced from PubChem (CID 129291505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).