2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol

C39H24F54N6O15 — CID 148890171

IUPAC2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1nc(N(CCO)CC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)nc(N(CCO)CC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C39H24F54N6O15/c1-2-97(3-6-100)11-94-12(98(4-7-101)9-14(40,41)103-20(54,55)22(58,59)107-28(70,71)30(74,75)111-36(86,87)38(90,91)113-34(82,83)32(78,79)109-26(66,67)24(62,63)105-18(50,51)16(44,45)46)96-13(95-11)99(5-8-102)10-15(42,43)104-21(56,57)23(60,61)108-29(72,73)31(76,77)112-37(88,89)39(92,93)114-35(84,85)33(80,81)110-27(68,69)25(64,65)106-19(52,53)17(47,48)49/h100-102H,2-10H2,1H3
InChIKeyPETMDFCXERODJY-UHFFFAOYSA-N
MW1842.54 g/mol
LogP14.84
Rot. Bonds48

About 2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol

2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol (PubChem CID 148890171) has the molecular formula C39H24F54N6O15 and a molecular weight of 1842.54 g/mol. Its IUPAC name is 2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol
PubChem CID148890171
Molecular FormulaC39H24F54N6O15
Molecular Weight1842.54 g/mol
Exact Mass1842.04
IUPAC Name2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1nc(N(CCO)CC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)nc(N(CCO)CC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C39H24F54N6O15/c1-2-97(3-6-100)11-94-12(98(4-7-101)9-14(40,41)103-20(54,55)22(58,59)107-28(70,71)30(74,75)111-36(86,87)38(90,91)113-34(82,83)32(78,79)109-26(66,67)24(62,63)105-18(50,51)16(44,45)46)96-13(95-11)99(5-8-102)10-15(42,43)104-21(56,57)23(60,61)108-29(72,73)31(76,77)112-37(88,89)39(92,93)114-35(84,85)33(80,81)110-27(68,69)25(64,65)106-19(52,53)17(47,48)49/h100-102H,2-10H2,1H3
InChIKeyPETMDFCXERODJY-UHFFFAOYSA-N
XLogP14.84
TPSA219.84 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds48
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001842.54
LogP ≤ 514.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol (CID 148890171) is 2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol is CCN(CCO)c1nc(N(CCO)CC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)nc(N(CCO)CC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol?
The InChIKey is PETMDFCXERODJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F54N6O15/c1-2-97(3-6-100)11-94-12(98(4-7-101)9-14(40,41)103-20(54,55)22(58,59)107-28(70,71)30(74,75)111-36(86,87)38(90,91)113-34(82,83)32(78,79)109-26(66,67)24(62,63)105-18(50,51)16(44,45)46)96-13(95-11)99(5-8-102)10-15(42,43)104-21(56,57)23(60,61)108-29(72,73)31(76,77)112-37(88,89)39(92,93)114-35(84,85)33(80,81)110-27(68,69)25(64,65)106-19(52,53)17(47,48)49/h100-102H,2-10H2,1H3.
What are the key properties of 2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol?
2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol has a molecular weight of 1842.54 g/mol, XLogP of 14.84, 48 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol is sourced from PubChem (CID 148890171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).