ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate

C12H15ClFNO2 — CID 116914266

IUPACethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate
SMILESCCOC(=O)C(c1ccc(F)c(Cl)c1)N(C)C
InChIInChI=1S/C12H15ClFNO2/c1-4-17-12(16)11(15(2)3)8-5-6-10(14)9(13)7-8/h5-7,11H,4H2,1-3H3
InChIKeyQPZCFVHUVXGEGM-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.64
Rot. Bonds4

About ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate

ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate (PubChem CID 116914266) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate
PubChem CID116914266
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Nameethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate
SMILESCCOC(=O)C(c1ccc(F)c(Cl)c1)N(C)C
InChIInChI=1S/C12H15ClFNO2/c1-4-17-12(16)11(15(2)3)8-5-6-10(14)9(13)7-8/h5-7,11H,4H2,1-3H3
InChIKeyQPZCFVHUVXGEGM-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
2-(3-chloro-4-fluorophenyl)-2-(diethylamino)acetic acid
CID 81154831
methyl (3R)-3-amino-3-(3-chloro-4-fluorophenyl)propanoate
CID 79021226
ethyl (3S)-3-amino-3-(3-chloro-4-fluorophenyl)-2,2-difluoropropanoate
CID 171246798
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate
CID 81146015
ethyl 2-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]acetate
CID 15682139
ethyl 2-(3-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetate
CID 81145682
ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate
CID 116914231
2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid
CID 83224808
2-[acetyl(methyl)amino]-2-(3-chloro-4-fluorophenyl)acetic acid
CID 81146137
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146254
ethyl 3-(4-chloro-3-fluorophenyl)-3-(dimethylamino)propanoate
CID 64539052

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate?
The IUPAC name of ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate (CID 116914266) is ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate.
What is the SMILES notation for ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate?
The canonical SMILES for ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate is CCOC(=O)C(c1ccc(F)c(Cl)c1)N(C)C.
What is the InChIKey of ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate?
The InChIKey is QPZCFVHUVXGEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-4-17-12(16)11(15(2)3)8-5-6-10(14)9(13)7-8/h5-7,11H,4H2,1-3H3.
What are the key properties of ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate?
ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate has a molecular weight of 259.71 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate is sourced from PubChem (CID 116914266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).