1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone

C16H13F2NOS — CID 166512170

IUPAC1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccccc1F)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C16H13F2NOS/c17-13-6-5-11-8-19(9-12(11)7-13)16(20)10-21-15-4-2-1-3-14(15)18/h1-7H,8-10H2
InChIKeyYYEMNFKRNWHMCY-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.60
Rot. Bonds3

About 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone

1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone (PubChem CID 166512170) has the molecular formula C16H13F2NOS and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone
PubChem CID166512170
Molecular FormulaC16H13F2NOS
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC Name1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccccc1F)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C16H13F2NOS/c17-13-6-5-11-8-19(9-12(11)7-13)16(20)10-21-15-4-2-1-3-14(15)18/h1-7H,8-10H2
InChIKeyYYEMNFKRNWHMCY-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone?
The IUPAC name of 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone (CID 166512170) is 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone?
The canonical SMILES for 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone is O=C(CSc1ccccc1F)N1Cc2ccc(F)cc2C1.
What is the InChIKey of 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone?
The InChIKey is YYEMNFKRNWHMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NOS/c17-13-6-5-11-8-19(9-12(11)7-13)16(20)10-21-15-4-2-1-3-14(15)18/h1-7H,8-10H2.
What are the key properties of 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone?
1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone has a molecular weight of 305.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfanylethanone is sourced from PubChem (CID 166512170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).