ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate

C14H19FO2 — CID 79367067

IUPACethyl 2-(4-tert-butylphenyl)-2-fluoroacetate
SMILESCCOC(=O)C(F)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H19FO2/c1-5-17-13(16)12(15)10-6-8-11(9-7-10)14(2,3)4/h6-9,12H,5H2,1-4H3
InChIKeyQWRLAFYJUBWTSI-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.56
Rot. Bonds3

About ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate

ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate (PubChem CID 79367067) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-tert-butylphenyl)-2-fluoroacetate
PubChem CID79367067
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Nameethyl 2-(4-tert-butylphenyl)-2-fluoroacetate
SMILESCCOC(=O)C(F)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H19FO2/c1-5-17-13(16)12(15)10-6-8-11(9-7-10)14(2,3)4/h6-9,12H,5H2,1-4H3
InChIKeyQWRLAFYJUBWTSI-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-fluoro-2-(4-methylphenyl)acetate
CID 15712195
ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
CID 105451309
ethyl (2S)-2-(4-tert-butylphenyl)-2-hydroxyacetate
CID 94376486
ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate
CID 125041350
ethyl 2-fluoro-2-(4-nitrosophenyl)acetate
CID 174499307
ethyl 2-fluoro-2-(4-phenylphenyl)acetate
CID 21405824
ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate
CID 79366877
ethyl 2-fluoro-2-(4-nitrophenyl)acetate
CID 132529905
ethyl 2-[(4-tert-butylphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62399198
ethyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-fluoroacetate
CID 134832982
ethyl (3S)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171246981
ethyl 2-fluoro-2-(furan-3-yl)acetate
CID 79366156

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate (CID 79367067) is ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate is CCOC(=O)C(F)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate?
The InChIKey is QWRLAFYJUBWTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-5-17-13(16)12(15)10-6-8-11(9-7-10)14(2,3)4/h6-9,12H,5H2,1-4H3.
What are the key properties of ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate?
ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate has a molecular weight of 238.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate is sourced from PubChem (CID 79367067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).