[2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate

C32H18F8O6 — CID 3092912

IUPAC[2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1Oc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccccc3OC(=O)C(=C)C)c(F)c2F)c(F)c1F
InChIInChI=1S/C32H18F8O6/c1-13(2)31(41)45-17-11-7-5-9-15(17)43-29-25(37)21(33)19(22(34)26(29)38)20-23(35)27(39)30(28(40)24(20)36)44-16-10-6-8-12-18(16)46-32(42)14(3)4/h5-12H,1,3H2,2,4H3
InChIKeyABBFJMBINMHJPS-UHFFFAOYSA-N
MW650.47 g/mol
LogP9.01
Rot. Bonds9

About [2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate

[2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate (PubChem CID 3092912) has the molecular formula C32H18F8O6 and a molecular weight of 650.47 g/mol. Its IUPAC name is [2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate
PubChem CID3092912
Molecular FormulaC32H18F8O6
Molecular Weight650.47 g/mol
Exact Mass650.10
IUPAC Name[2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1Oc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccccc3OC(=O)C(=C)C)c(F)c2F)c(F)c1F
InChIInChI=1S/C32H18F8O6/c1-13(2)31(41)45-17-11-7-5-9-15(17)43-29-25(37)21(33)19(22(34)26(29)38)20-23(35)27(39)30(28(40)24(20)36)44-16-10-6-8-12-18(16)46-32(42)14(3)4/h5-12H,1,3H2,2,4H3
InChIKeyABBFJMBINMHJPS-UHFFFAOYSA-N
XLogP9.01
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.47
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2-hydroxyphenoxy)phenyl]phenoxy]phenol
CID 3092907
(2-carbonochloridoylphenyl) 2-methylprop-2-enoate
CID 100943837
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(2,3,5,6-tetrafluoro-4-methylphenyl) 2-methylprop-2-enoate
CID 89308664
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene
CID 1380018
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
(2-fluorophenyl) 2-oxopropanoate
CID 54044054
[2-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 22141672
[2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate
CID 138567323

Frequently Asked Questions

What is the IUPAC name of [2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate (CID 3092912) is [2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccccc1Oc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccccc3OC(=O)C(=C)C)c(F)c2F)c(F)c1F.
What is the InChIKey of [2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate?
The InChIKey is ABBFJMBINMHJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F8O6/c1-13(2)31(41)45-17-11-7-5-9-15(17)43-29-25(37)21(33)19(22(34)26(29)38)20-23(35)27(39)30(28(40)24(20)36)44-16-10-6-8-12-18(16)46-32(42)14(3)4/h5-12H,1,3H2,2,4H3.
What are the key properties of [2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate?
[2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate has a molecular weight of 650.47 g/mol, XLogP of 9.01, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(2-methylprop-2-enoyloxy)phenoxy]phenyl]phenoxy]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 3092912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).