3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole

C12H13F2NO2S — CID 162539575

IUPAC3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole
SMILESCS(=O)(=O)N1CC(CC=C(F)F)c2ccccc21
InChIInChI=1S/C12H13F2NO2S/c1-18(16,17)15-8-9(6-7-12(13)14)10-4-2-3-5-11(10)15/h2-5,7,9H,6,8H2,1H3
InChIKeyRWZWWKQFZXUARG-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.72
Rot. Bonds3

About 3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole

3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole (PubChem CID 162539575) has the molecular formula C12H13F2NO2S and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole
PubChem CID162539575
Molecular FormulaC12H13F2NO2S
Molecular Weight273.30 g/mol
Exact Mass273.06
IUPAC Name3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole
SMILESCS(=O)(=O)N1CC(CC=C(F)F)c2ccccc21
InChIInChI=1S/C12H13F2NO2S/c1-18(16,17)15-8-9(6-7-12(13)14)10-4-2-3-5-11(10)15/h2-5,7,9H,6,8H2,1H3
InChIKeyRWZWWKQFZXUARG-UHFFFAOYSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole?
The IUPAC name of 3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole (CID 162539575) is 3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole is CS(=O)(=O)N1CC(CC=C(F)F)c2ccccc21.
What is the InChIKey of 3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole?
The InChIKey is RWZWWKQFZXUARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2S/c1-18(16,17)15-8-9(6-7-12(13)14)10-4-2-3-5-11(10)15/h2-5,7,9H,6,8H2,1H3.
What are the key properties of 3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole?
3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole has a molecular weight of 273.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 162539575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).