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

C15H15F18NO3 — CID 88834731

IUPAC1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine
SMILESCC(OC(F)(F)C(F)(F)C(F)F)N(C(C)OC(F)(F)C(F)(F)C(F)F)C(C)OC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H15F18NO3/c1-4(35-13(28,29)10(22,23)7(16)17)34(5(2)36-14(30,31)11(24,25)8(18)19)6(3)37-15(32,33)12(26,27)9(20)21/h4-9H,1-3H3
InChIKeyQUFABYASQWNZCV-UHFFFAOYSA-N
MW599.25 g/mol
LogP6.86
Rot. Bonds15

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

1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine (PubChem CID 88834731) has the molecular formula C15H15F18NO3 and a molecular weight of 599.25 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine
PubChem CID88834731
Molecular FormulaC15H15F18NO3
Molecular Weight599.25 g/mol
Exact Mass599.08
IUPAC Name1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine
SMILESCC(OC(F)(F)C(F)(F)C(F)F)N(C(C)OC(F)(F)C(F)(F)C(F)F)C(C)OC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H15F18NO3/c1-4(35-13(28,29)10(22,23)7(16)17)34(5(2)36-14(30,31)11(24,25)8(18)19)6(3)37-15(32,33)12(26,27)9(20)21/h4-9H,1-3H3
InChIKeyQUFABYASQWNZCV-UHFFFAOYSA-N
XLogP6.86
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.25
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1,1,2-trifluoro-2-heptafluoropropoxy-ethanamine
CID 100977954
(1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine
CID 166445925
2-(1,1,2,3,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]ethanamine
CID 19424808
2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine
CID 21492158
Triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium
CID 57074527
N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
CID 138687369
N,N-diethyl-1-(1,2,2-trifluoroethoxy)ethanamine
CID 138687370
Diethyl-methyl-[1-(1,2,2-trifluoroethoxy)ethyl]azanium
CID 138687375
1-ethoxy-N,N-diethyl-2,2,2-trifluoroethanamine
CID 140129722
N,N-diethyl-2,2,3,3-tetrafluoro-1-methoxypropan-1-amine
CID 140129729
Diethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide
CID 162464916
N,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine
CID 162464920

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine (CID 88834731) is 1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine is CC(OC(F)(F)C(F)(F)C(F)F)N(C(C)OC(F)(F)C(F)(F)C(F)F)C(C)OC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine?
The InChIKey is QUFABYASQWNZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F18NO3/c1-4(35-13(28,29)10(22,23)7(16)17)34(5(2)36-14(30,31)11(24,25)8(18)19)6(3)37-15(32,33)12(26,27)9(20)21/h4-9H,1-3H3.
What are the key properties of 1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine?
1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine has a molecular weight of 599.25 g/mol, XLogP of 6.86, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine is sourced from PubChem (CID 88834731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).