ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate

C15H21FO3 — CID 159573119

IUPACethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate
SMILESCCOC(=O)CC(CF)CCc1ccc(OC)cc1
InChIInChI=1S/C15H21FO3/c1-3-19-15(17)10-13(11-16)5-4-12-6-8-14(18-2)9-7-12/h6-9,13H,3-5,10-11H2,1-2H3
InChIKeyMIBNYYXVHFZPFT-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.17
Rot. Bonds8

About ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate

ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate (PubChem CID 159573119) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate
PubChem CID159573119
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Nameethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate
SMILESCCOC(=O)CC(CF)CCc1ccc(OC)cc1
InChIInChI=1S/C15H21FO3/c1-3-19-15(17)10-13(11-16)5-4-12-6-8-14(18-2)9-7-12/h6-9,13H,3-5,10-11H2,1-2H3
InChIKeyMIBNYYXVHFZPFT-UHFFFAOYSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 10015086
ethyl 4-[2-(4-methoxyphenyl)ethyl]-6-methylheptanoate
CID 11472279
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate
CID 66289830
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
ethyl 2-[2-(4-methoxyphenyl)ethylsulfanyl]acetate
CID 78790188
ethyl 3-(2-phenylethyl)heptanoate
CID 102077330
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate?
The IUPAC name of ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate (CID 159573119) is ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate.
What is the SMILES notation for ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate?
The canonical SMILES for ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate is CCOC(=O)CC(CF)CCc1ccc(OC)cc1.
What is the InChIKey of ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate?
The InChIKey is MIBNYYXVHFZPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c1-3-19-15(17)10-13(11-16)5-4-12-6-8-14(18-2)9-7-12/h6-9,13H,3-5,10-11H2,1-2H3.
What are the key properties of ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate?
ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate has a molecular weight of 268.33 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate is sourced from PubChem (CID 159573119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).