ethyl 3-[fluoro(phenyl)methoxy]propanoate

C12H15FO3 — CID 174300216

IUPACethyl 3-[fluoro(phenyl)methoxy]propanoate
SMILESCCOC(=O)CCOC(F)c1ccccc1
InChIInChI=1S/C12H15FO3/c1-2-15-11(14)8-9-16-12(13)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKeyLRDZBFUUPIKFQQ-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.62
Rot. Bonds6

About ethyl 3-[fluoro(phenyl)methoxy]propanoate

ethyl 3-[fluoro(phenyl)methoxy]propanoate (PubChem CID 174300216) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is ethyl 3-[fluoro(phenyl)methoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[fluoro(phenyl)methoxy]propanoate
PubChem CID174300216
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Nameethyl 3-[fluoro(phenyl)methoxy]propanoate
SMILESCCOC(=O)CCOC(F)c1ccccc1
InChIInChI=1S/C12H15FO3/c1-2-15-11(14)8-9-16-12(13)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKeyLRDZBFUUPIKFQQ-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl (4S,6R)-6-hydroxy-4-phenylheptanoate
CID 10944846
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl 4-phenyl-4-phosphorosobutanoate
CID 174776094
ethyl (3R,5S)-3,5-dihydroxy-5-phenylpentanoate
CID 23239477
ethyl 8-hydroxy-6-methylidene-8-phenyloctanoate
CID 11033134
ethyl 4-phenoxy-4-phenylbutanoate
CID 151980337
ethyl 4-methyl-6-phenylheptanoate
CID 158915322
ethyl (2S,3S)-2-fluoro-3-hydroxy-3-phenylpropanoate
CID 11333326
ethyl 3,3,3-trifluoro-2-phenylpropanoate
CID 10399031
ethyl 3-anilinopropanoate
CID 10910393

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[fluoro(phenyl)methoxy]propanoate?
The IUPAC name of ethyl 3-[fluoro(phenyl)methoxy]propanoate (CID 174300216) is ethyl 3-[fluoro(phenyl)methoxy]propanoate.
What is the SMILES notation for ethyl 3-[fluoro(phenyl)methoxy]propanoate?
The canonical SMILES for ethyl 3-[fluoro(phenyl)methoxy]propanoate is CCOC(=O)CCOC(F)c1ccccc1.
What is the InChIKey of ethyl 3-[fluoro(phenyl)methoxy]propanoate?
The InChIKey is LRDZBFUUPIKFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-2-15-11(14)8-9-16-12(13)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3.
What are the key properties of ethyl 3-[fluoro(phenyl)methoxy]propanoate?
ethyl 3-[fluoro(phenyl)methoxy]propanoate has a molecular weight of 226.25 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[fluoro(phenyl)methoxy]propanoate is sourced from PubChem (CID 174300216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).