ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate

C11H12F2O2 — CID 79366877

IUPACethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate
SMILESCCOC(=O)C(F)c1ccc(F)c(C)c1
InChIInChI=1S/C11H12F2O2/c1-3-15-11(14)10(13)8-4-5-9(12)7(2)6-8/h4-6,10H,3H2,1-2H3
InChIKeyKVRBNVDPHYCBTC-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.71
Rot. Bonds3

About ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate

ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate (PubChem CID 79366877) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate
PubChem CID79366877
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate
SMILESCCOC(=O)C(F)c1ccc(F)c(C)c1
InChIInChI=1S/C11H12F2O2/c1-3-15-11(14)10(13)8-4-5-9(12)7(2)6-8/h4-6,10H,3H2,1-2H3
InChIKeyKVRBNVDPHYCBTC-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.71
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 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
CID 62121338
ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate
CID 125041350
ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate
CID 79367067
ethyl 2-fluoro-2-(4-nitrosophenyl)acetate
CID 174499307
ethyl 2-fluoro-2-(4-phenylphenyl)acetate
CID 21405824
ethyl (3S)-3-amino-2,2-difluoro-3-(4-fluoro-3-methylphenyl)propanoate
CID 171247768
ethyl (3S)-3-amino-2,2-difluoro-3-(4-fluoro-3-methylphenyl)propanoate;hydrochloride
CID 171247769
1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine
CID 63716843
ethyl 2-fluoro-2-(4-nitrophenyl)acetate
CID 132529905
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate (CID 79366877) is ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate is CCOC(=O)C(F)c1ccc(F)c(C)c1.
What is the InChIKey of ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate?
The InChIKey is KVRBNVDPHYCBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-3-15-11(14)10(13)8-4-5-9(12)7(2)6-8/h4-6,10H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate?
ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate has a molecular weight of 214.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate is sourced from PubChem (CID 79366877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).