[4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate

C16H10F4O2 — CID 126551736

IUPAC[4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(F)cc(-c2cccc(F)c2F)cc1F
InChIInChI=1S/C16H10F4O2/c1-8(2)16(21)22-15-12(18)6-9(7-13(15)19)10-4-3-5-11(17)14(10)20/h3-7H,1H2,2H3
InChIKeyFUSWYTFDGMQWJC-UHFFFAOYSA-N
MW310.25 g/mol
LogP4.39
Rot. Bonds3

About [4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate

[4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate (PubChem CID 126551736) has the molecular formula C16H10F4O2 and a molecular weight of 310.25 g/mol. Its IUPAC name is [4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate
PubChem CID126551736
Molecular FormulaC16H10F4O2
Molecular Weight310.25 g/mol
Exact Mass310.06
IUPAC Name[4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(F)cc(-c2cccc(F)c2F)cc1F
InChIInChI=1S/C16H10F4O2/c1-8(2)16(21)22-15-12(18)6-9(7-13(15)19)10-4-3-5-11(17)14(10)20/h3-7H,1H2,2H3
InChIKeyFUSWYTFDGMQWJC-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2-methylprop-2-enoate
CID 59510821
[4-[3,5-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl] 2,2-dimethylpropanoate
CID 123386129
[2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate
CID 138567323
[4-[3-fluoro-4-[2-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 135130145
methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
CID 134635149
[4-[4-[3-fluoro-4,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-(methoxymethyl)phenyl]-2-(methoxymethyl)phenyl] 2-methylprop-2-enoate
CID 147663401
[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
(2,3,5,6-tetrafluoro-4-methylphenyl) 2-methylprop-2-enoate
CID 89308664
[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluoro-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 118975640
(2,3-dimethylazulen-1-yl) 2-methylprop-2-enoate
CID 164546738

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate (CID 126551736) is [4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c(F)cc(-c2cccc(F)c2F)cc1F.
What is the InChIKey of [4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate?
The InChIKey is FUSWYTFDGMQWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4O2/c1-8(2)16(21)22-15-12(18)6-9(7-13(15)19)10-4-3-5-11(17)14(10)20/h3-7H,1H2,2H3.
What are the key properties of [4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate?
[4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate has a molecular weight of 310.25 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 126551736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).