2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine

C8H10F9NO — CID 54268554

IUPAC2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine
SMILESNCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F9NO/c9-5(10,1-3-19-4-2-18)6(11,12)7(13,14)8(15,16)17/h1-4,18H2
InChIKeyRIMVMWUUFMQFBU-UHFFFAOYSA-N
MW307.16 g/mol
LogP2.82
Rot. Bonds7

About 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine

2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine (PubChem CID 54268554) has the molecular formula C8H10F9NO and a molecular weight of 307.16 g/mol. Its IUPAC name is 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine.

Molecular Properties

Compound Name2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine
PubChem CID54268554
Molecular FormulaC8H10F9NO
Molecular Weight307.16 g/mol
Exact Mass307.06
IUPAC Name2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine
SMILESNCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F9NO/c9-5(10,1-3-19-4-2-18)6(11,12)7(13,14)8(15,16)17/h1-4,18H2
InChIKeyRIMVMWUUFMQFBU-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine?
The IUPAC name of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine (CID 54268554) is 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine.
What is the SMILES notation for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine?
The canonical SMILES for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine is NCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine?
The InChIKey is RIMVMWUUFMQFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F9NO/c9-5(10,1-3-19-4-2-18)6(11,12)7(13,14)8(15,16)17/h1-4,18H2.
What are the key properties of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine?
2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine has a molecular weight of 307.16 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanamine is sourced from PubChem (CID 54268554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).