ethyl 3-(3,5-difluorophenyl)propanoate

C11H12F2O2 — CID 15209345

IUPACethyl 3-(3,5-difluorophenyl)propanoate
SMILESCCOC(=O)CCc1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2O2/c1-2-15-11(14)4-3-8-5-9(12)7-10(13)6-8/h5-7H,2-4H2,1H3
InChIKeyRJPFVVQBZAJMKV-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.46
Rot. Bonds4

About ethyl 3-(3,5-difluorophenyl)propanoate

ethyl 3-(3,5-difluorophenyl)propanoate (PubChem CID 15209345) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is ethyl 3-(3,5-difluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3,5-difluorophenyl)propanoate
PubChem CID15209345
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Nameethyl 3-(3,5-difluorophenyl)propanoate
SMILESCCOC(=O)CCc1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2O2/c1-2-15-11(14)4-3-8-5-9(12)7-10(13)6-8/h5-7H,2-4H2,1H3
InChIKeyRJPFVVQBZAJMKV-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(3-fluoro-5-methylphenyl)propanoate
CID 79018311
ethyl 3-(3-amino-5-fluorophenyl)propanoate
CID 170909551
ethyl 3-(3-ethoxy-3-oxopropyl)-5-fluorobenzoate
CID 134645106
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-5-[(4-fluorophenyl)methyl]phenyl]propanoate
CID 19962355
2-O-[2-(3,5-difluorophenyl)ethyl] 1-O-ethyl oxalate
CID 91656034
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-5-[(4-fluorophenyl)-hydroxymethyl]phenyl]propanoate
CID 19962357
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 3-[3-(3-amino-3-oxopropyl)-5-(4-fluorophenoxy)phenyl]propanoate
CID 139720628
ethyl 3-(3-ethenyl-4,5-difluorophenyl)propanoate
CID 57470571
ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate
CID 134638917
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
CID 175291494

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,5-difluorophenyl)propanoate?
The IUPAC name of ethyl 3-(3,5-difluorophenyl)propanoate (CID 15209345) is ethyl 3-(3,5-difluorophenyl)propanoate.
What is the SMILES notation for ethyl 3-(3,5-difluorophenyl)propanoate?
The canonical SMILES for ethyl 3-(3,5-difluorophenyl)propanoate is CCOC(=O)CCc1cc(F)cc(F)c1.
What is the InChIKey of ethyl 3-(3,5-difluorophenyl)propanoate?
The InChIKey is RJPFVVQBZAJMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-2-15-11(14)4-3-8-5-9(12)7-10(13)6-8/h5-7H,2-4H2,1H3.
What are the key properties of ethyl 3-(3,5-difluorophenyl)propanoate?
ethyl 3-(3,5-difluorophenyl)propanoate has a molecular weight of 214.21 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,5-difluorophenyl)propanoate is sourced from PubChem (CID 15209345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).