[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate

C21H24F2O5 — CID 89283429

IUPAC[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(OC(F)(F)C2CCC(COC(=O)C=C)CC2)cc1
InChIInChI=1S/C21H24F2O5/c1-3-19(24)26-13-15-5-9-17(10-6-15)21(22,23)28-18-11-7-16(8-12-18)14-27-20(25)4-2/h3-4,7-8,11-12,15,17H,1-2,5-6,9-10,13-14H2
InChIKeyJBHFSANQTYCZJX-UHFFFAOYSA-N
MW394.41 g/mol
LogP4.42
Rot. Bonds9

About [4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate

[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate (PubChem CID 89283429) has the molecular formula C21H24F2O5 and a molecular weight of 394.41 g/mol. Its IUPAC name is [4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate
PubChem CID89283429
Molecular FormulaC21H24F2O5
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(OC(F)(F)C2CCC(COC(=O)C=C)CC2)cc1
InChIInChI=1S/C21H24F2O5/c1-3-19(24)26-13-15-5-9-17(10-6-15)21(22,23)28-18-11-7-16(8-12-18)14-27-20(25)4-2/h3-4,7-8,11-12,15,17H,1-2,5-6,9-10,13-14H2
InChIKeyJBHFSANQTYCZJX-UHFFFAOYSA-N
XLogP4.42
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate with MolForge

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Related Compounds

[4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-[4-(prop-2-enoyloxymethyl)cyclohexyl]cyclohexyl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)cyclohexyl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[6-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]naphthalen-2-yl]methyl 2-methylprop-2-enoate;ethane
CID 160861224
[4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane
CID 160563571
[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane
CID 161279927
[4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane
CID 159800405
[4-[difluoro-[4-(2,2,2-trifluoroethyl)cyclohexyl]methoxy]phenyl] prop-2-enoate
CID 172684927
[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)cyclohexyl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane;bis([4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]phenyl]methyl 2-methylprop-2-enoate);bis([4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]phenyl]methyl prop-2-enoate);bis(2-methylprop-2-enoic acid);bis(prop-2-enoic acid)
CID 159940128
[3-hydroxy-4-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxycyclohexyl]methyl prop-2-enoate
CID 177277249
bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate
CID 134310367
1-[4-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]phenyl]prop-2-en-1-one
CID 59695826
[2-hydroxy-5-(prop-2-enoyloxymethyl)cyclohexyl] 4-(trifluoromethoxy)benzoate
CID 177277268
[4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate
CID 19421220
[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate
CID 126680865

Frequently Asked Questions

What is the IUPAC name of [4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate?
The IUPAC name of [4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate (CID 89283429) is [4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate.
What is the SMILES notation for [4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate?
The canonical SMILES for [4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate is C=CC(=O)OCc1ccc(OC(F)(F)C2CCC(COC(=O)C=C)CC2)cc1.
What is the InChIKey of [4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate?
The InChIKey is JBHFSANQTYCZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2O5/c1-3-19(24)26-13-15-5-9-17(10-6-15)21(22,23)28-18-11-7-16(8-12-18)14-27-20(25)4-2/h3-4,7-8,11-12,15,17H,1-2,5-6,9-10,13-14H2.
What are the key properties of [4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate?
[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate has a molecular weight of 394.41 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate is sourced from PubChem (CID 89283429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).