[4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate

C22H15FO8 — CID 118013890

IUPAC[4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate
SMILESC=CC(=O)Oc1cc2cc(OC(=O)C=C)c(OC(=O)C=C)c(F)c2cc1OC(=O)C=C
InChIInChI=1S/C22H15FO8/c1-5-17(24)28-14-9-12-10-16(30-19(26)7-3)22(31-20(27)8-4)21(23)13(12)11-15(14)29-18(25)6-2/h5-11H,1-4H2
InChIKeyMYUGLOAZUZVOCM-UHFFFAOYSA-N
MW426.35 g/mol
LogP3.34
Rot. Bonds8

About [4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate

[4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate (PubChem CID 118013890) has the molecular formula C22H15FO8 and a molecular weight of 426.35 g/mol. Its IUPAC name is [4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate
PubChem CID118013890
Molecular FormulaC22H15FO8
Molecular Weight426.35 g/mol
Exact Mass426.08
IUPAC Name[4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate
SMILESC=CC(=O)Oc1cc2cc(OC(=O)C=C)c(OC(=O)C=C)c(F)c2cc1OC(=O)C=C
InChIInChI=1S/C22H15FO8/c1-5-17(24)28-14-9-12-10-16(30-19(26)7-3)22(31-20(27)8-4)21(23)13(12)11-15(14)29-18(25)6-2/h5-11H,1-4H2
InChIKeyMYUGLOAZUZVOCM-UHFFFAOYSA-N
XLogP3.34
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate with MolForge

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Related Compounds

[3-[6,7-di(prop-2-enoyloxy)phenanthren-1-yl]-2-prop-2-enoyloxyphenyl] prop-2-enoate
CID 118013838
[6,8-di(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate
CID 163762483
(2,4,6-tribromo-3-prop-2-enoyloxyphenyl) prop-2-enoate
CID 22625259
(3,7-diaminonaphthalen-2-yl) prop-2-enoate
CID 141212742
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
(4-bromo-2-fluorophenyl) prop-2-enoate
CID 174643250
[2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate
CID 138480747
[2,4,5-tribromo-3,6-di(prop-2-enoyloxy)phenyl] prop-2-enoate
CID 18714384
naphthalen-1-yl prop-2-enoate
CID 10192638
[4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate
CID 141004975
[2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate
CID 135190575
(7-chloro-3-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 163406551

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate?
The IUPAC name of [4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate (CID 118013890) is [4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate.
What is the SMILES notation for [4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate?
The canonical SMILES for [4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate is C=CC(=O)Oc1cc2cc(OC(=O)C=C)c(OC(=O)C=C)c(F)c2cc1OC(=O)C=C.
What is the InChIKey of [4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate?
The InChIKey is MYUGLOAZUZVOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FO8/c1-5-17(24)28-14-9-12-10-16(30-19(26)7-3)22(31-20(27)8-4)21(23)13(12)11-15(14)29-18(25)6-2/h5-11H,1-4H2.
What are the key properties of [4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate?
[4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate has a molecular weight of 426.35 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate is sourced from PubChem (CID 118013890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).