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

C14H16F2O3 — CID 142856006

IUPACethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCCOC(=O)C(F)(F)C1CCc2cc(OC)ccc21
InChIInChI=1S/C14H16F2O3/c1-3-19-13(17)14(15,16)12-7-4-9-8-10(18-2)5-6-11(9)12/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyMCSFVCIVESKIQV-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.92
Rot. Bonds4

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

ethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate (PubChem CID 142856006) has the molecular formula C14H16F2O3 and a molecular weight of 270.27 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
PubChem CID142856006
Molecular FormulaC14H16F2O3
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Nameethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCCOC(=O)C(F)(F)C1CCc2cc(OC)ccc21
InChIInChI=1S/C14H16F2O3/c1-3-19-13(17)14(15,16)12-7-4-9-8-10(18-2)5-6-11(9)12/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyMCSFVCIVESKIQV-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 86332149
ethyl 2,2-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 71078532
ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
CID 67422105
ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanoate
CID 115511255
methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
CID 23529443
ethyl 6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate
CID 83985310
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
3-(6-fluoro-13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)propanoic acid
CID 83985242
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112
1-(5-ethyl-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
CID 22292778
(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 160877367
3,3,3-trifluoro-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
CID 86794394

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate (CID 142856006) is ethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate is CCOC(=O)C(F)(F)C1CCc2cc(OC)ccc21.
What is the InChIKey of ethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
The InChIKey is MCSFVCIVESKIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O3/c1-3-19-13(17)14(15,16)12-7-4-9-8-10(18-2)5-6-11(9)12/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
ethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate has a molecular weight of 270.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate is sourced from PubChem (CID 142856006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).