4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one

C10H10FNO2 — CID 171810063

IUPAC4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(OCCF)cccc21
InChIInChI=1S/C10H10FNO2/c11-4-5-14-9-3-1-2-7-8(9)6-12-10(7)13/h1-3H,4-6H2,(H,12,13)
InChIKeyATAPLKWJPXEKBM-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.28
Rot. Bonds3

About 4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one

4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one (PubChem CID 171810063) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one
PubChem CID171810063
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(OCCF)cccc21
InChIInChI=1S/C10H10FNO2/c11-4-5-14-9-3-1-2-7-8(9)6-12-10(7)13/h1-3H,4-6H2,(H,12,13)
InChIKeyATAPLKWJPXEKBM-UHFFFAOYSA-N
XLogP1.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one (CID 171810063) is 4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one is O=C1NCc2c(OCCF)cccc21.
What is the InChIKey of 4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one?
The InChIKey is ATAPLKWJPXEKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-4-5-14-9-3-1-2-7-8(9)6-12-10(7)13/h1-3H,4-6H2,(H,12,13).
What are the key properties of 4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one?
4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one has a molecular weight of 195.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 171810063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).