2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine

C14H4F22N2O2 — CID 87306997

IUPAC2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine
SMILESNC(F)(F)C(F)(F)OC12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(OC(F)(F)C(N)(F)F)(C3(F)F)C2(F)F
InChIInChI=1S/C14H4F22N2O2/c15-1-5(17,18)2(16)8(23,24)3(6(1,19)20,39-13(33,34)11(29,30)37)10(27,28)4(7(1,21)22,9(2,25)26)40-14(35,36)12(31,32)38/h37-38H2
InChIKeyDRMNYOOBAQYEAF-UHFFFAOYSA-N
MW650.15 g/mol
LogP5.05
Rot. Bonds6

About 2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine

2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine (PubChem CID 87306997) has the molecular formula C14H4F22N2O2 and a molecular weight of 650.15 g/mol. Its IUPAC name is 2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine.

Molecular Properties

Compound Name2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine
PubChem CID87306997
Molecular FormulaC14H4F22N2O2
Molecular Weight650.15 g/mol
Exact Mass649.99
IUPAC Name2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine
SMILESNC(F)(F)C(F)(F)OC12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(OC(F)(F)C(N)(F)F)(C3(F)F)C2(F)F
InChIInChI=1S/C14H4F22N2O2/c15-1-5(17,18)2(16)8(23,24)3(6(1,19)20,39-13(33,34)11(29,30)37)10(27,28)4(7(1,21)22,9(2,25)26)40-14(35,36)12(31,32)38/h37-38H2
InChIKeyDRMNYOOBAQYEAF-UHFFFAOYSA-N
XLogP5.05
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.15
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', '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-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine?
The IUPAC name of 2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine (CID 87306997) is 2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine.
What is the SMILES notation for 2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine?
The canonical SMILES for 2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine is NC(F)(F)C(F)(F)OC12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(OC(F)(F)C(N)(F)F)(C3(F)F)C2(F)F.
What is the InChIKey of 2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine?
The InChIKey is DRMNYOOBAQYEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F22N2O2/c15-1-5(17,18)2(16)8(23,24)3(6(1,19)20,39-13(33,34)11(29,30)37)10(27,28)4(7(1,21)22,9(2,25)26)40-14(35,36)12(31,32)38/h37-38H2.
What are the key properties of 2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine?
2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine has a molecular weight of 650.15 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-amino-1,1,2,2-tetrafluoroethoxy)-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethanamine is sourced from PubChem (CID 87306997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).