methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate

C11H10F2O3 — CID 78906321

IUPACmethyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H10F2O3/c1-15-10(14)7-4-8-2-5-9(6-3-8)16-11(12)13/h2-7,11H,1H3/b7-4+
InChIKeyNIKIVEJMUXPUAB-QPJJXVBHSA-N
MW228.19 g/mol
LogP2.47
Rot. Bonds4

About methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate

methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate (PubChem CID 78906321) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
PubChem CID78906321
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Namemethyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H10F2O3/c1-15-10(14)7-4-8-2-5-9(6-3-8)16-11(12)13/h2-7,11H,1H3/b7-4+
InChIKeyNIKIVEJMUXPUAB-QPJJXVBHSA-N
XLogP2.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(4-acetylphenyl) 3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 4813382
[2-(methylamino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 6212532
methyl 4-[3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]benzoate
CID 4811100
methyl 4-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyloxymethyl]benzoate
CID 3503930
3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 73422099
[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 8636355
[4-(4-fluorobenzoyl)phenyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7931064
(3-acetylphenyl) (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7924215
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate
CID 5377244

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate (CID 78906321) is methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate is COC(=O)/C=C/c1ccc(OC(F)F)cc1.
What is the InChIKey of methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate?
The InChIKey is NIKIVEJMUXPUAB-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H10F2O3/c1-15-10(14)7-4-8-2-5-9(6-3-8)16-11(12)13/h2-7,11H,1H3/b7-4+.
What are the key properties of methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate?
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate has a molecular weight of 228.19 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 78906321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).