2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine

C15H15F18NO3 — CID 21492158

IUPAC2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine
SMILESFC(F)C(F)(F)C(F)(F)OCCN(CCOC(F)(F)C(F)(F)C(F)F)CCOC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H15F18NO3/c16-7(17)10(22,23)13(28,29)35-4-1-34(2-5-36-14(30,31)11(24,25)8(18)19)3-6-37-15(32,33)12(26,27)9(20)21/h7-9H,1-6H2
InChIKeyJNTNMRQDFXTNDL-UHFFFAOYSA-N
MW599.25 g/mol
LogP5.82
Rot. Bonds18

About 2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine

2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine (PubChem CID 21492158) has the molecular formula C15H15F18NO3 and a molecular weight of 599.25 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine
PubChem CID21492158
Molecular FormulaC15H15F18NO3
Molecular Weight599.25 g/mol
Exact Mass599.08
IUPAC Name2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine
SMILESFC(F)C(F)(F)C(F)(F)OCCN(CCOC(F)(F)C(F)(F)C(F)F)CCOC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H15F18NO3/c16-7(17)10(22,23)13(28,29)35-4-1-34(2-5-36-14(30,31)11(24,25)8(18)19)3-6-37-15(32,33)12(26,27)9(20)21/h7-9H,1-6H2
InChIKeyJNTNMRQDFXTNDL-UHFFFAOYSA-N
XLogP5.82
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.25
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine?
The IUPAC name of 2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine (CID 21492158) is 2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine?
The canonical SMILES for 2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine is FC(F)C(F)(F)C(F)(F)OCCN(CCOC(F)(F)C(F)(F)C(F)F)CCOC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine?
The InChIKey is JNTNMRQDFXTNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F18NO3/c16-7(17)10(22,23)13(28,29)35-4-1-34(2-5-36-14(30,31)11(24,25)8(18)19)3-6-37-15(32,33)12(26,27)9(20)21/h7-9H,1-6H2.
What are the key properties of 2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine?
2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine has a molecular weight of 599.25 g/mol, XLogP of 5.82, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine is sourced from PubChem (CID 21492158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).