ethyl 2-(3-fluorophenoxy)-2-methylpropanoate

C12H15FO3 — CID 58243746

IUPACethyl 2-(3-fluorophenoxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1cccc(F)c1
InChIInChI=1S/C12H15FO3/c1-4-15-11(14)12(2,3)16-10-7-5-6-9(13)8-10/h5-8H,4H2,1-3H3
InChIKeyNBNWRRSGCGZDAI-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.55
Rot. Bonds4

About ethyl 2-(3-fluorophenoxy)-2-methylpropanoate

ethyl 2-(3-fluorophenoxy)-2-methylpropanoate (PubChem CID 58243746) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is ethyl 2-(3-fluorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(3-fluorophenoxy)-2-methylpropanoate
PubChem CID58243746
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Nameethyl 2-(3-fluorophenoxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1cccc(F)c1
InChIInChI=1S/C12H15FO3/c1-4-15-11(14)12(2,3)16-10-7-5-6-9(13)8-10/h5-8H,4H2,1-3H3
InChIKeyNBNWRRSGCGZDAI-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-isocyanophenoxy)-2-methylpropanoate
CID 58009621
ethyl 2-[3-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylpropanoate
CID 143092770
ethane;ethyl 2-methyl-2-phenoxypropanoate;phenol
CID 159600538
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
ethyl 2-(3-fluorophenoxy)-2-methyl-3-(4-phenylmethoxyphenyl)propanoate
CID 69353995
ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64706858
ethyl 2-fluoro-2-(3-fluorophenoxy)acetate
CID 79356645
2-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 82075160
ethyl 3-(3-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62397600
diethyl 2-ethyl-2-(3-fluorophenyl)propanedioate
CID 103973181
bicyclo[2.2.0]hexa-1(4),2,5-triene;3-(3-fluorophenoxy)-3-hydroxybutanoic acid
CID 22751507
ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate
CID 153411971

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluorophenoxy)-2-methylpropanoate?
The IUPAC name of ethyl 2-(3-fluorophenoxy)-2-methylpropanoate (CID 58243746) is ethyl 2-(3-fluorophenoxy)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(3-fluorophenoxy)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(3-fluorophenoxy)-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1cccc(F)c1.
What is the InChIKey of ethyl 2-(3-fluorophenoxy)-2-methylpropanoate?
The InChIKey is NBNWRRSGCGZDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-4-15-11(14)12(2,3)16-10-7-5-6-9(13)8-10/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-(3-fluorophenoxy)-2-methylpropanoate?
ethyl 2-(3-fluorophenoxy)-2-methylpropanoate has a molecular weight of 226.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 58243746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).