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

C19H14F2O4 — CID 122660275

IUPAC[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1F
InChIInChI=1S/C19H14F2O4/c1-4-18(22)24-16-7-5-12(9-14(16)20)13-6-8-17(15(21)10-13)25-19(23)11(2)3/h4-10H,1-2H2,3H3
InChIKeyAQQSVYWVRQIRRR-UHFFFAOYSA-N
MW344.31 g/mol
LogP4.20
Rot. Bonds5

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

[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate (PubChem CID 122660275) has the molecular formula C19H14F2O4 and a molecular weight of 344.31 g/mol. Its IUPAC name is [2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
PubChem CID122660275
Molecular FormulaC19H14F2O4
Molecular Weight344.31 g/mol
Exact Mass344.09
IUPAC Name[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1F
InChIInChI=1S/C19H14F2O4/c1-4-18(22)24-16-7-5-12(9-14(16)20)13-6-8-17(15(21)10-13)25-19(23)11(2)3/h4-10H,1-2H2,3H3
InChIKeyAQQSVYWVRQIRRR-UHFFFAOYSA-N
XLogP4.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 54.20
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-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 118147418
[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
[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-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 122660269
[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 20751930
[2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate
CID 135190575
[4-[3-fluoro-4-[3-(3-methyl-4-prop-2-enoyloxyphenyl)propanoyloxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 118458206
[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-methoxyphenyl)phenyl] prop-2-enoate
CID 126551737
[2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate
CID 138567323

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate (CID 122660275) is [2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1F.
What is the InChIKey of [2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is AQQSVYWVRQIRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2O4/c1-4-18(22)24-16-7-5-12(9-14(16)20)13-6-8-17(15(21)10-13)25-19(23)11(2)3/h4-10H,1-2H2,3H3.
What are the key properties of [2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 344.31 g/mol, XLogP of 4.20, 5 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-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 122660275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).