[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate

C20H23FO4 — CID 138517239

IUPAC[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C2CCC(OC(=O)C(=C)C)C(F)C2)cc1
InChIInChI=1S/C20H23FO4/c1-12(2)19(22)24-16-8-5-14(6-9-16)15-7-10-18(17(21)11-15)25-20(23)13(3)4/h5-6,8-9,15,17-18H,1,3,7,10-11H2,2,4H3
InChIKeyHPWXPDJZERBGQA-UHFFFAOYSA-N
MW346.40 g/mol
LogP4.26
Rot. Bonds5

About [2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate

[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate (PubChem CID 138517239) has the molecular formula C20H23FO4 and a molecular weight of 346.40 g/mol. Its IUPAC name is [2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate
PubChem CID138517239
Molecular FormulaC20H23FO4
Molecular Weight346.40 g/mol
Exact Mass346.16
IUPAC Name[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C2CCC(OC(=O)C(=C)C)C(F)C2)cc1
InChIInChI=1S/C20H23FO4/c1-12(2)19(22)24-16-8-5-14(6-9-16)15-7-10-18(17(21)11-15)25-20(23)13(3)4/h5-6,8-9,15,17-18H,1,3,7,10-11H2,2,4H3
InChIKeyHPWXPDJZERBGQA-UHFFFAOYSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.26
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

[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorocyclohexyl] 2-methylprop-2-enoate
CID 138517237
3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]phenyl]propyl 2-methylprop-2-enoate
CID 118458100
[4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate
CID 118458159
[4-[4-(3-methoxy-3-oxoprop-1-en-2-yl)cyclohexyl]phenyl] 2-methylprop-2-enoate
CID 174634328
(2-fluorocyclopentyl) 2-methylprop-2-enoate
CID 175110305
[(4R)-4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorocyclohexyl] 2-methylprop-2-enoate
CID 154625461
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene
CID 144809384
[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
CID 172846034
[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
CID 169009058

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate (CID 138517239) is [2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(C2CCC(OC(=O)C(=C)C)C(F)C2)cc1.
What is the InChIKey of [2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is HPWXPDJZERBGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO4/c1-12(2)19(22)24-16-8-5-14(6-9-16)15-7-10-18(17(21)11-15)25-20(23)13(3)4/h5-6,8-9,15,17-18H,1,3,7,10-11H2,2,4H3.
What are the key properties of [2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate?
[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 346.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 138517239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).