ethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate

C14H15F2NO3 — CID 162398991

IUPACethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C14H15F2NO3/c1-3-20-13(19)14(15,16)11-4-5-12-10(8-11)6-7-17(12)9(2)18/h4-5,8H,3,6-7H2,1-2H3
InChIKeyGOWBSYQFWNXECE-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.25
Rot. Bonds3

About ethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate

ethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate (PubChem CID 162398991) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is ethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate
PubChem CID162398991
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Nameethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C14H15F2NO3/c1-3-20-13(19)14(15,16)11-4-5-12-10(8-11)6-7-17(12)9(2)18/h4-5,8H,3,6-7H2,1-2H3
InChIKeyGOWBSYQFWNXECE-UHFFFAOYSA-N
XLogP2.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate (CID 162398991) is ethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of ethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate?
The InChIKey is GOWBSYQFWNXECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-3-20-13(19)14(15,16)11-4-5-12-10(8-11)6-7-17(12)9(2)18/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of ethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate?
ethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate has a molecular weight of 283.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-acetyl-2,3-dihydroindol-5-yl)-2,2-difluoroacetate is sourced from PubChem (CID 162398991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).