[2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate

C21H18F2O4 — CID 122660269

IUPAC[2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)OCCc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1F
InChIInChI=1S/C21H18F2O4/c1-4-20(24)26-10-9-14-5-6-15(11-17(14)22)16-7-8-19(18(23)12-16)27-21(25)13(2)3/h4-8,11-12H,1-2,9-10H2,3H3
InChIKeyJXVRTBSJCFJPTD-UHFFFAOYSA-N
MW372.37 g/mol
LogP4.39
Rot. Bonds7

About [2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate

[2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 122660269) has the molecular formula C21H18F2O4 and a molecular weight of 372.37 g/mol. Its IUPAC name is [2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate
PubChem CID122660269
Molecular FormulaC21H18F2O4
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name[2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)OCCc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1F
InChIInChI=1S/C21H18F2O4/c1-4-20(24)26-10-9-14-5-6-15(11-17(14)22)16-7-8-19(18(23)12-16)27-21(25)13(2)3/h4-8,11-12H,1-2,9-10H2,3H3
InChIKeyJXVRTBSJCFJPTD-UHFFFAOYSA-N
XLogP4.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 54.39
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'}

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Related Compounds

[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660275
2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate
CID 122660279
2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
CID 90146916
[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 20751930
[2-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate
CID 129142995
[2-fluoro-4-[3-fluoro-4-(3-methylbuta-1,3-dien-2-yloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 139334672
[2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 118147418
[2-butyl-4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 154596476
4-[4-[3-fluoro-4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]phenyl]butyl 2-methylprop-2-enoate
CID 122660298
[2-fluoro-4-(4-methoxyphenyl)phenyl] 2-methylprop-2-enoate;formaldehyde;2-methylprop-1-ene
CID 145389577
[2-fluoro-4-[4-(3-methylbuta-1,3-dien-2-yloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 145261223
[4-[3-fluoro-4-[3-(3-methyl-4-prop-2-enoyloxyphenyl)propanoyloxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 118458206

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate (CID 122660269) is [2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate is C=CC(=O)OCCc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1F.
What is the InChIKey of [2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is JXVRTBSJCFJPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2O4/c1-4-20(24)26-10-9-14-5-6-15(11-17(14)22)16-7-8-19(18(23)12-16)27-21(25)13(2)3/h4-8,11-12H,1-2,9-10H2,3H3.
What are the key properties of [2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate?
[2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 372.37 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 122660269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).