2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one

C12H13F4NO — CID 114169236

IUPAC2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one
SMILESCc1cc2c(n1CC(F)(F)C(F)F)CCCC2=O
InChIInChI=1S/C12H13F4NO/c1-7-5-8-9(3-2-4-10(8)18)17(7)6-12(15,16)11(13)14/h5,11H,2-4,6H2,1H3
InChIKeyWAOMGVIPWUNQIW-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.22
Rot. Bonds3

About 2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one

2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 114169236) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one
PubChem CID114169236
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one
SMILESCc1cc2c(n1CC(F)(F)C(F)F)CCCC2=O
InChIInChI=1S/C12H13F4NO/c1-7-5-8-9(3-2-4-10(8)18)17(7)6-12(15,16)11(13)14/h5,11H,2-4,6H2,1H3
InChIKeyWAOMGVIPWUNQIW-UHFFFAOYSA-N
XLogP3.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one (CID 114169236) is 2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one is Cc1cc2c(n1CC(F)(F)C(F)F)CCCC2=O.
What is the InChIKey of 2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is WAOMGVIPWUNQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-7-5-8-9(3-2-4-10(8)18)17(7)6-12(15,16)11(13)14/h5,11H,2-4,6H2,1H3.
What are the key properties of 2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one?
2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 263.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,3,3-tetrafluoropropyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 114169236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).