3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate

C15H14F2O4 — CID 70288420

IUPAC3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate
SMILESC=CC(=O)OCCCOC(=O)/C=C/c1cc(F)cc(F)c1
InChIInChI=1S/C15H14F2O4/c1-2-14(18)20-6-3-7-21-15(19)5-4-11-8-12(16)10-13(17)9-11/h2,4-5,8-10H,1,3,6-7H2/b5-4+
InChIKeyKFOSJCAJNYXNSX-SNAWJCMRSA-N
MW296.27 g/mol
LogP2.64
Rot. Bonds7

About 3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate

3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate (PubChem CID 70288420) has the molecular formula C15H14F2O4 and a molecular weight of 296.27 g/mol. Its IUPAC name is 3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate
PubChem CID70288420
Molecular FormulaC15H14F2O4
Molecular Weight296.27 g/mol
Exact Mass296.09
IUPAC Name3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate
SMILESC=CC(=O)OCCCOC(=O)/C=C/c1cc(F)cc(F)c1
InChIInChI=1S/C15H14F2O4/c1-2-14(18)20-6-3-7-21-15(19)5-4-11-8-12(16)10-13(17)9-11/h2,4-5,8-10H,1,3,6-7H2/b5-4+
InChIKeyKFOSJCAJNYXNSX-SNAWJCMRSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]oxypropyl 2-methylprop-2-enoate
CID 70288999
3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate
CID 70566588
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-[4-(3,5-difluorophenyl)phenoxy]octyl prop-2-enoate
CID 134446776
butyl 3-(3,5-difluoro-4-methylphenyl)prop-2-enoate
CID 66733998
6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 134454514
4-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenoxy]butyl (E)-3-phenylprop-2-enoate
CID 102145573
butyl 3-(3,5-difluoro-4-methoxyphenyl)prop-2-enoate
CID 66733763
ethyl 3-(3-chloro-5-fluorophenyl)prop-2-enoate
CID 91491190
ethyl (E)-3-(3-chloro-5-fluorophenyl)prop-2-enoate
CID 86611645
3-(4-fluorophenoxy)propyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 7794956

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate?
The IUPAC name of 3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate (CID 70288420) is 3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate.
What is the SMILES notation for 3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate?
The canonical SMILES for 3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate is C=CC(=O)OCCCOC(=O)/C=C/c1cc(F)cc(F)c1.
What is the InChIKey of 3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate?
The InChIKey is KFOSJCAJNYXNSX-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H14F2O4/c1-2-14(18)20-6-3-7-21-15(19)5-4-11-8-12(16)10-13(17)9-11/h2,4-5,8-10H,1,3,6-7H2/b5-4+.
What are the key properties of 3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate?
3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate has a molecular weight of 296.27 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate is sourced from PubChem (CID 70288420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).