1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione

C16H11F2NO3 — CID 171797054

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(OC(F)F)cc2)c2ccccc21
InChIInChI=1S/C16H11F2NO3/c17-16(18)22-11-7-5-10(6-8-11)9-19-13-4-2-1-3-12(13)14(20)15(19)21/h1-8,16H,9H2
InChIKeyDTRTYKSOXZGDMH-UHFFFAOYSA-N
MW303.26 g/mol
LogP3.02
Rot. Bonds4

About 1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione

1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione (PubChem CID 171797054) has the molecular formula C16H11F2NO3 and a molecular weight of 303.26 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione
PubChem CID171797054
Molecular FormulaC16H11F2NO3
Molecular Weight303.26 g/mol
Exact Mass303.07
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(OC(F)F)cc2)c2ccccc21
InChIInChI=1S/C16H11F2NO3/c17-16(18)22-11-7-5-10(6-8-11)9-19-13-4-2-1-3-12(13)14(20)15(19)21/h1-8,16H,9H2
InChIKeyDTRTYKSOXZGDMH-UHFFFAOYSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,4,5-trifluorophenyl)methyl]indole-2,3-dione
CID 129218578
1-[[3-chloro-4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 3745546
2-[(4-methylphenyl)methyl]isoquinoline-1,3,4-trione
CID 177415175
1-[(4-phenoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 44602489
1-[[3,5-bis[(2,3-dioxoindol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]indole-2,3-dione
CID 139203556
[6-[4-(difluoromethoxy)phenyl]-3-pyridinyl]methanamine;2-[[6-[4-(difluoromethoxy)phenyl]-3-pyridinyl]methyl]isoindole-1,3-dione
CID 167621213
[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl carbamimidothioate
CID 155235324
5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione
CID 52945621
4-[(1,3,4-trioxoisoquinolin-2-yl)methyl]benzonitrile
CID 177481598
1,1,1-trifluoro-N-[4-[(8-oxo-7-azabicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl]phenyl]methanesulfonamide
CID 169261007
1-(5-chloropentyl)indole-2,3-dione
CID 43348362
1-[(4-methoxyanilino)methyl]indole-2,3-dione
CID 21204155

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione (CID 171797054) is 1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccc(OC(F)F)cc2)c2ccccc21.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione?
The InChIKey is DTRTYKSOXZGDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO3/c17-16(18)22-11-7-5-10(6-8-11)9-19-13-4-2-1-3-12(13)14(20)15(19)21/h1-8,16H,9H2.
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione?
1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione has a molecular weight of 303.26 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione is sourced from PubChem (CID 171797054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).