ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate

C13H17FO3 — CID 79356641

IUPACethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate
SMILESCCOC(=O)C(F)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C13H17FO3/c1-4-16-13(15)12(14)17-11-7-5-10(6-8-11)9(2)3/h5-9,12H,4H2,1-3H3
InChIKeyIOVMIEFOZWRGFD-UHFFFAOYSA-N
MW240.27 g/mol
LogP3.05
Rot. Bonds5

About ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate

ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate (PubChem CID 79356641) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate
PubChem CID79356641
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Nameethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate
SMILESCCOC(=O)C(F)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C13H17FO3/c1-4-16-13(15)12(14)17-11-7-5-10(6-8-11)9(2)3/h5-9,12H,4H2,1-3H3
InChIKeyIOVMIEFOZWRGFD-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate
CID 79361865
ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate
CID 113497366
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
ethyl 2-fluoro-2-(3-fluorophenoxy)acetate
CID 79356645
ethyl (2R)-3-(4-chlorophenyl)-3-oxo-2-(4-propan-2-ylphenoxy)propanoate
CID 129384042
ethyl (2S)-3-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoate
CID 125467568
ethyl 2-[hydroxy-(4-propan-2-ylphenyl)methyl]-3-methylbutanoate
CID 62398184
ethyl (3R)-3-amino-3-[4-(difluoromethoxy)phenyl]-2-fluoropropanoate;hydrochloride
CID 171241697
ethyl 2-(4-propan-2-ylphenyl)pentanoate
CID 83042532
2-(4-propan-2-ylphenoxy)pentanoic acid
CID 54792638
ethyl 3,3-dimethyl-2-(4-propan-2-ylphenyl)butanoate
CID 167383651
ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate
CID 64668116

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate (CID 79356641) is ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate is CCOC(=O)C(F)Oc1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate?
The InChIKey is IOVMIEFOZWRGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-4-16-13(15)12(14)17-11-7-5-10(6-8-11)9(2)3/h5-9,12H,4H2,1-3H3.
What are the key properties of ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate?
ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate has a molecular weight of 240.27 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 79356641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).