ethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate

C12H14ClFN2O3 — CID 123216694

IUPACethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate
SMILESCCOC(=O)C(Cl)NNc1cc2c(cc1F)OCC2
InChIInChI=1S/C12H14ClFN2O3/c1-2-18-12(17)11(13)16-15-9-5-7-3-4-19-10(7)6-8(9)14/h5-6,11,15-16H,2-4H2,1H3
InChIKeyVGGWCGRCDUXEFX-UHFFFAOYSA-N
MW288.71 g/mol
LogP1.81
Rot. Bonds5

About ethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate

ethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate (PubChem CID 123216694) has the molecular formula C12H14ClFN2O3 and a molecular weight of 288.71 g/mol. Its IUPAC name is ethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate
PubChem CID123216694
Molecular FormulaC12H14ClFN2O3
Molecular Weight288.71 g/mol
Exact Mass288.07
IUPAC Nameethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate
SMILESCCOC(=O)C(Cl)NNc1cc2c(cc1F)OCC2
InChIInChI=1S/C12H14ClFN2O3/c1-2-18-12(17)11(13)16-15-9-5-7-3-4-19-10(7)6-8(9)14/h5-6,11,15-16H,2-4H2,1H3
InChIKeyVGGWCGRCDUXEFX-UHFFFAOYSA-N
XLogP1.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate
CID 140734868
1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one
CID 117284367
ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 54458812
2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 117322838
ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate
CID 18769105
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396
ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate
CID 71803417
ethyl 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetate
CID 117352699
ethyl 2-[(3S,4R)-4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-oxopyrrolidin-1-yl]-2-methylpropanoate
CID 126653389
ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 60997932
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
CID 170796261
2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83897026

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate?
The IUPAC name of ethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate (CID 123216694) is ethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate.
What is the SMILES notation for ethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate?
The canonical SMILES for ethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate is CCOC(=O)C(Cl)NNc1cc2c(cc1F)OCC2.
What is the InChIKey of ethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate?
The InChIKey is VGGWCGRCDUXEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O3/c1-2-18-12(17)11(13)16-15-9-5-7-3-4-19-10(7)6-8(9)14/h5-6,11,15-16H,2-4H2,1H3.
What are the key properties of ethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate?
ethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate has a molecular weight of 288.71 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate is sourced from PubChem (CID 123216694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).