1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one

C15H13F2NO — CID 55053043

IUPAC1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2Cc1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO/c16-11-5-4-10(13(17)8-11)9-18-7-6-12-14(18)2-1-3-15(12)19/h4-8H,1-3,9H2
InChIKeyUSZIGKUAUOWISL-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.33
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one

1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 55053043) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one
PubChem CID55053043
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2Cc1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO/c16-11-5-4-10(13(17)8-11)9-18-7-6-12-14(18)2-1-3-15(12)19/h4-8H,1-3,9H2
InChIKeyUSZIGKUAUOWISL-UHFFFAOYSA-N
XLogP3.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one (CID 55053043) is 1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is USZIGKUAUOWISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c16-11-5-4-10(13(17)8-11)9-18-7-6-12-14(18)2-1-3-15(12)19/h4-8H,1-3,9H2.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one?
1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 261.27 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 55053043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).