2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene

C28H20F10O4 — CID 23236690

IUPAC2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene
SMILESCOCOc1ccc2cc(C(F)(F)C(F)(F)F)ccc2c1-c1c(OCOC)ccc2cc(C(F)(F)C(F)(F)F)ccc12
InChIInChI=1S/C28H20F10O4/c1-39-13-41-21-9-3-15-11-17(25(29,30)27(33,34)35)5-7-19(15)23(21)24-20-8-6-18(26(31,32)28(36,37)38)12-16(20)4-10-22(24)42-14-40-2/h3-12H,13-14H2,1-2H3
InChIKeyVRZJVKGCHQEJTD-UHFFFAOYSA-N
MW610.44 g/mol
LogP8.93
Rot. Bonds9

About 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene

2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene (PubChem CID 23236690) has the molecular formula C28H20F10O4 and a molecular weight of 610.44 g/mol. Its IUPAC name is 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene.

Molecular Properties

Compound Name2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene
PubChem CID23236690
Molecular FormulaC28H20F10O4
Molecular Weight610.44 g/mol
Exact Mass610.12
IUPAC Name2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene
SMILESCOCOc1ccc2cc(C(F)(F)C(F)(F)F)ccc2c1-c1c(OCOC)ccc2cc(C(F)(F)C(F)(F)F)ccc12
InChIInChI=1S/C28H20F10O4/c1-39-13-41-21-9-3-15-11-17(25(29,30)27(33,34)35)5-7-19(15)23(21)24-20-8-6-18(26(31,32)28(36,37)38)12-16(20)4-10-22(24)42-14-40-2/h3-12H,13-14H2,1-2H3
InChIKeyVRZJVKGCHQEJTD-UHFFFAOYSA-N
XLogP8.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.44
LogP ≤ 58.93
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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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene?
The IUPAC name of 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene (CID 23236690) is 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene.
What is the SMILES notation for 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene?
The canonical SMILES for 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene is COCOc1ccc2cc(C(F)(F)C(F)(F)F)ccc2c1-c1c(OCOC)ccc2cc(C(F)(F)C(F)(F)F)ccc12.
What is the InChIKey of 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene?
The InChIKey is VRZJVKGCHQEJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F10O4/c1-39-13-41-21-9-3-15-11-17(25(29,30)27(33,34)35)5-7-19(15)23(21)24-20-8-6-18(26(31,32)28(36,37)38)12-16(20)4-10-22(24)42-14-40-2/h3-12H,13-14H2,1-2H3.
What are the key properties of 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene?
2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene has a molecular weight of 610.44 g/mol, XLogP of 8.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-yl]-6-(1,1,2,2,2-pentafluoroethyl)naphthalene is sourced from PubChem (CID 23236690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).