[4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate

C20H14F4O4 — CID 59510821

IUPAC[4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2cc(F)c(OC(=O)C(=C)C)c(F)c2)c(F)c1F
InChIInChI=1S/C20H14F4O4/c1-9(2)19(25)27-15-6-5-12(16(23)17(15)24)11-7-13(21)18(14(22)8-11)28-20(26)10(3)4/h5-8H,1,3H2,2,4H3
InChIKeyQZBCQJFNQHQXHI-UHFFFAOYSA-N
MW394.32 g/mol
LogP4.87
Rot. Bonds5

About [4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate

[4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate (PubChem CID 59510821) has the molecular formula C20H14F4O4 and a molecular weight of 394.32 g/mol. Its IUPAC name is [4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate
PubChem CID59510821
Molecular FormulaC20H14F4O4
Molecular Weight394.32 g/mol
Exact Mass394.08
IUPAC Name[4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2cc(F)c(OC(=O)C(=C)C)c(F)c2)c(F)c1F
InChIInChI=1S/C20H14F4O4/c1-9(2)19(25)27-15-6-5-12(16(23)17(15)24)11-7-13(21)18(14(22)8-11)28-20(26)10(3)4/h5-8H,1,3H2,2,4H3
InChIKeyQZBCQJFNQHQXHI-UHFFFAOYSA-N
XLogP4.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2,2-dimethylpropanoate
CID 123386129
[4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate
CID 126551736
[4-[3,5-difluoro-4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,3-difluorophenyl] 2,2-dimethylpropanoate
CID 126595753
[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl]phenyl] 2-methylprop-2-enoate
CID 130280856
[4-[2,3-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-[2-ethenyl-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[3-fluoro-4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160540587
[4-[4-[3-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate
CID 147663401
[4-[4-[[2,3-difluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]methyl]-3-fluorophenyl]phenyl] 2-methylprop-2-enoate
CID 147599534
[2-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate
CID 129142995
[2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 118147418
[2-fluoro-4-[3-fluoro-4-(3-methylbuta-1,3-dien-2-yloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 139334672
[2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate
CID 138567323
[2-fluoro-4-(2-fluoro-4-prop-1-en-2-ylphenyl)phenyl] 2-methylprop-2-enoate
CID 129059905

Frequently Asked Questions

What is the IUPAC name of [4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate (CID 59510821) is [4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2cc(F)c(OC(=O)C(=C)C)c(F)c2)c(F)c1F.
What is the InChIKey of [4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate?
The InChIKey is QZBCQJFNQHQXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4O4/c1-9(2)19(25)27-15-6-5-12(16(23)17(15)24)11-7-13(21)18(14(22)8-11)28-20(26)10(3)4/h5-8H,1,3H2,2,4H3.
What are the key properties of [4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate?
[4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate has a molecular weight of 394.32 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 59510821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).