2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol

C42H24F54O18 — CID 159144777

IUPAC2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol
SMILESCCOC(CO)c1cc(C(CO)OCC(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)cc(C(CO)OCC(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)c1
InChIInChI=1S/C42H24F54O18/c1-2-100-14(6-97)11-3-12(15(7-98)101-9-17(43,44)103-23(57,58)25(61,62)107-31(73,74)33(77,78)111-39(89,90)41(93,94)113-37(85,86)35(81,82)109-29(69,70)27(65,66)105-21(53,54)19(47,48)49)5-13(4-11)16(8-99)102-10-18(45,46)104-24(59,60)26(63,64)108-32(75,76)34(79,80)112-40(91,92)42(95,96)114-38(87,88)36(83,84)110-30(71,72)28(67,68)106-22(55,56)20(50,51)52/h3-5,14-16,97-99H,2,6-10H2,1H3
InChIKeySUTHWUAWAJRVIG-UHFFFAOYSA-N
MW1842.53 g/mol
LogP17.41
Rot. Bonds48

About 2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol

2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol (PubChem CID 159144777) has the molecular formula C42H24F54O18 and a molecular weight of 1842.53 g/mol. Its IUPAC name is 2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol.

Molecular Properties

Compound Name2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol
PubChem CID159144777
Molecular FormulaC42H24F54O18
Molecular Weight1842.53 g/mol
Exact Mass1842.01
IUPAC Name2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol
SMILESCCOC(CO)c1cc(C(CO)OCC(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)cc(C(CO)OCC(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)c1
InChIInChI=1S/C42H24F54O18/c1-2-100-14(6-97)11-3-12(15(7-98)101-9-17(43,44)103-23(57,58)25(61,62)107-31(73,74)33(77,78)111-39(89,90)41(93,94)113-37(85,86)35(81,82)109-29(69,70)27(65,66)105-21(53,54)19(47,48)49)5-13(4-11)16(8-99)102-10-18(45,46)104-24(59,60)26(63,64)108-32(75,76)34(79,80)112-40(91,92)42(95,96)114-38(87,88)36(83,84)110-30(71,72)28(67,68)106-22(55,56)20(50,51)52/h3-5,14-16,97-99H,2,6-10H2,1H3
InChIKeySUTHWUAWAJRVIG-UHFFFAOYSA-N
XLogP17.41
TPSA199.14 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds48
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001842.53
LogP ≤ 517.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol?
The IUPAC name of 2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol (CID 159144777) is 2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol.
What is the SMILES notation for 2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol?
The canonical SMILES for 2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol is CCOC(CO)c1cc(C(CO)OCC(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)cc(C(CO)OCC(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)c1.
What is the InChIKey of 2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol?
The InChIKey is SUTHWUAWAJRVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24F54O18/c1-2-100-14(6-97)11-3-12(15(7-98)101-9-17(43,44)103-23(57,58)25(61,62)107-31(73,74)33(77,78)111-39(89,90)41(93,94)113-37(85,86)35(81,82)109-29(69,70)27(65,66)105-21(53,54)19(47,48)49)5-13(4-11)16(8-99)102-10-18(45,46)104-24(59,60)26(63,64)108-32(75,76)34(79,80)112-40(91,92)42(95,96)114-38(87,88)36(83,84)110-30(71,72)28(67,68)106-22(55,56)20(50,51)52/h3-5,14-16,97-99H,2,6-10H2,1H3.
What are the key properties of 2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol?
2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol has a molecular weight of 1842.53 g/mol, XLogP of 17.41, 48 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[1-[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]ethoxy]-2-hydroxyethyl]phenyl]-2-ethoxyethanol is sourced from PubChem (CID 159144777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).