N-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine

C20H8F34N2O — CID 137440885

IUPACN-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine
SMILESFC(N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C20H8F34N2O/c21-5(55(17(47,48)9(27,28)13(35,36)37)18(49,50)10(29,30)14(38,39)40)7(23,24)3-1-2-4(57-3)8(25,26)6(22)56(19(51,52)11(31,32)15(41,42)43)20(53,54)12(33,34)16(44,45)46/h3-6H,1-2H2
InChIKeyDLXICYZUGTZOPL-UHFFFAOYSA-N
MW938.23 g/mol
LogP11.16
Rot. Bonds14

About N-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine

N-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine (PubChem CID 137440885) has the molecular formula C20H8F34N2O and a molecular weight of 938.23 g/mol. Its IUPAC name is N-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine
PubChem CID137440885
Molecular FormulaC20H8F34N2O
Molecular Weight938.23 g/mol
Exact Mass938.01
IUPAC NameN-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine
SMILESFC(N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C20H8F34N2O/c21-5(55(17(47,48)9(27,28)13(35,36)37)18(49,50)10(29,30)14(38,39)40)7(23,24)3-1-2-4(57-3)8(25,26)6(22)56(19(51,52)11(31,32)15(41,42)43)20(53,54)12(33,34)16(44,45)46/h3-6H,1-2H2
InChIKeyDLXICYZUGTZOPL-UHFFFAOYSA-N
XLogP11.16
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.23
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine?
The IUPAC name of N-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine (CID 137440885) is N-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine.
What is the SMILES notation for N-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine?
The canonical SMILES for N-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine is FC(N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of N-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine?
The InChIKey is DLXICYZUGTZOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8F34N2O/c21-5(55(17(47,48)9(27,28)13(35,36)37)18(49,50)10(29,30)14(38,39)40)7(23,24)3-1-2-4(57-3)8(25,26)6(22)56(19(51,52)11(31,32)15(41,42)43)20(53,54)12(33,34)16(44,45)46/h3-6H,1-2H2.
What are the key properties of N-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine?
N-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine has a molecular weight of 938.23 g/mol, XLogP of 11.16, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-[bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-1,1,2-trifluoroethyl]oxolan-2-yl]-1,2,2-trifluoroethyl]-1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine is sourced from PubChem (CID 137440885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).