[2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate)

C93H80F22O24 — CID 159443358

IUPAC[2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate)
SMILESC=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OCOc1ccc(COc2ccc(OCc3ccc(OC)c(F)c3)c(C(F)(F)F)c2C(F)(F)F)cc1F.C=CC(=O)OCOc1ccc(COc2ccc(OCc3ccc(OC)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCOc1ccc(COc2ccc(OCc3ccc(OC)cc3F)c(C(F)(F)F)c2C(F)(F)F)c(F)c1
InChIInChI=1S/2C27H20F8O6.C27H22F6O6.3C4H6O2/c1-3-23(36)41-14-40-18-7-5-16(20(29)11-18)13-39-22-9-8-21(24(26(30,31)32)25(22)27(33,34)35)38-12-15-4-6-17(37-2)10-19(15)28;1-3-23(36)41-14-40-20-7-5-16(11-18(20)29)13-39-22-9-8-21(24(26(30,31)32)25(22)27(33,34)35)38-12-15-4-6-19(37-2)17(28)10-15;1-3-23(34)39-16-38-20-10-6-18(7-11-20)15-37-22-13-12-21(24(26(28,29)30)25(22)27(31,32)33)36-14-17-4-8-19(35-2)9-5-17;3*1-3-4(5)6-2/h2*3-11H,1,12-14H2,2H3;3-13H,1,14-16H2,2H3;3*3H,1H2,2H3
InChIKeyLSLHNPNHHYZVQQ-UHFFFAOYSA-N
MW1999.59 g/mol
LogP22.46
Rot. Bonds36

About [2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate)

[2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate) (PubChem CID 159443358) has the molecular formula C93H80F22O24 and a molecular weight of 1999.59 g/mol. Its IUPAC name is [2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate).

Molecular Properties

Compound Name[2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate)
PubChem CID159443358
Molecular FormulaC93H80F22O24
Molecular Weight1999.59 g/mol
Exact Mass1998.47
IUPAC Name[2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate)
SMILESC=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OCOc1ccc(COc2ccc(OCc3ccc(OC)c(F)c3)c(C(F)(F)F)c2C(F)(F)F)cc1F.C=CC(=O)OCOc1ccc(COc2ccc(OCc3ccc(OC)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCOc1ccc(COc2ccc(OCc3ccc(OC)cc3F)c(C(F)(F)F)c2C(F)(F)F)c(F)c1
InChIInChI=1S/2C27H20F8O6.C27H22F6O6.3C4H6O2/c1-3-23(36)41-14-40-18-7-5-16(20(29)11-18)13-39-22-9-8-21(24(26(30,31)32)25(22)27(33,34)35)38-12-15-4-6-17(37-2)10-19(15)28;1-3-23(36)41-14-40-20-7-5-16(11-18(20)29)13-39-22-9-8-21(24(26(30,31)32)25(22)27(33,34)35)38-12-15-4-6-19(37-2)17(28)10-15;1-3-23(34)39-16-38-20-10-6-18(7-11-20)15-37-22-13-12-21(24(26(28,29)30)25(22)27(31,32)33)36-14-17-4-8-19(35-2)9-5-17;3*1-3-4(5)6-2/h2*3-11H,1,12-14H2,2H3;3-13H,1,14-16H2,2H3;3*3H,1H2,2H3
InChIKeyLSLHNPNHHYZVQQ-UHFFFAOYSA-N
XLogP22.46
TPSA268.56 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001999.59
LogP ≤ 522.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate) with MolForge

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Related Compounds

[2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;methyl prop-2-enoate
CID 90962691
[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;methyl prop-2-enoate
CID 90870530
6-[3-fluoro-4-[3-[4-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]propoxy]-2,3-bis(trifluoromethyl)phenoxy]propyl]phenoxy]hexyl prop-2-enoate
CID 58776316
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
[4-[2-[4-[2-[4-(prop-2-enoyloxymethoxy)phenyl]ethyl]-3-(trifluoromethyl)phenyl]ethyl]phenoxy]methyl prop-2-enoate
CID 21036061
[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102876040
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
CID 61267627
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
2-[2-fluoro-4-(prop-2-enoyloxymethoxy)phenyl]ethyl 4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoate;2-[3-fluoro-4-(prop-2-enoyloxymethoxy)phenyl]ethyl 4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoate;2-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]ethyl 4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoate;2-[3-methyl-4-(prop-2-enoyloxymethoxy)phenyl]ethyl 4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoate;2-[4-(prop-2-enoyloxymethoxy)phenyl]ethyl 4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoate;[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3-[2-fluoro-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3-[3-fluoro-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate
CID 161320649

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate)?
The IUPAC name of [2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate) (CID 159443358) is [2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate).
What is the SMILES notation for [2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate)?
The canonical SMILES for [2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate) is C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OCOc1ccc(COc2ccc(OCc3ccc(OC)c(F)c3)c(C(F)(F)F)c2C(F)(F)F)cc1F.C=CC(=O)OCOc1ccc(COc2ccc(OCc3ccc(OC)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCOc1ccc(COc2ccc(OCc3ccc(OC)cc3F)c(C(F)(F)F)c2C(F)(F)F)c(F)c1.
What is the InChIKey of [2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate)?
The InChIKey is LSLHNPNHHYZVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H20F8O6.C27H22F6O6.3C4H6O2/c1-3-23(36)41-14-40-18-7-5-16(20(29)11-18)13-39-22-9-8-21(24(26(30,31)32)25(22)27(33,34)35)38-12-15-4-6-17(37-2)10-19(15)28;1-3-23(36)41-14-40-20-7-5-16(11-18(20)29)13-39-22-9-8-21(24(26(30,31)32)25(22)27(33,34)35)38-12-15-4-6-19(37-2)17(28)10-15;1-3-23(34)39-16-38-20-10-6-18(7-11-20)15-37-22-13-12-21(24(26(28,29)30)25(22)27(31,32)33)36-14-17-4-8-19(35-2)9-5-17;3*1-3-4(5)6-2/h2*3-11H,1,12-14H2,2H3;3-13H,1,14-16H2,2H3;3*3H,1H2,2H3.
What are the key properties of [2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate)?
[2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate) has a molecular weight of 1999.59 g/mol, XLogP of 22.46, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[[4-[(3-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[3-fluoro-4-[[4-[(2-fluoro-4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;[4-[[4-[(4-methoxyphenyl)methoxy]-2,3-bis(trifluoromethyl)phenoxy]methyl]phenoxy]methyl prop-2-enoate;tris(methyl prop-2-enoate) is sourced from PubChem (CID 159443358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).