ethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate

C13H14F2O2 — CID 66998529

IUPACethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCCOC(=O)CC1CCc2c1ccc(F)c2F
InChIInChI=1S/C13H14F2O2/c1-2-17-12(16)7-8-3-4-10-9(8)5-6-11(14)13(10)15/h5-6,8H,2-4,7H2,1H3
InChIKeyZEWVCTHJAJZNDZ-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.95
Rot. Bonds3

About ethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate

ethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate (PubChem CID 66998529) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is ethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate
PubChem CID66998529
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Nameethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCCOC(=O)CC1CCc2c1ccc(F)c2F
InChIInChI=1S/C13H14F2O2/c1-2-17-12(16)7-8-3-4-10-9(8)5-6-11(14)13(10)15/h5-6,8H,2-4,7H2,1H3
InChIKeyZEWVCTHJAJZNDZ-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate?
The IUPAC name of ethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate (CID 66998529) is ethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate?
The canonical SMILES for ethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate is CCOC(=O)CC1CCc2c1ccc(F)c2F.
What is the InChIKey of ethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate?
The InChIKey is ZEWVCTHJAJZNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c1-2-17-12(16)7-8-3-4-10-9(8)5-6-11(14)13(10)15/h5-6,8H,2-4,7H2,1H3.
What are the key properties of ethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate?
ethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate has a molecular weight of 240.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-difluoro-2,3-dihydro-1H-inden-1-yl)acetate is sourced from PubChem (CID 66998529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).