4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione

C14H7F4NO3 — CID 69217138

IUPAC4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(C(F)(F)F)o2)c2cccc(F)c21
InChIInChI=1S/C14H7F4NO3/c15-8-2-1-3-9-11(8)12(20)13(21)19(9)6-7-4-5-10(22-7)14(16,17)18/h1-5H,6H2
InChIKeyLWOISSVDIFEBFE-UHFFFAOYSA-N
MW313.21 g/mol
LogP3.17
Rot. Bonds2

About 4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione

4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione (PubChem CID 69217138) has the molecular formula C14H7F4NO3 and a molecular weight of 313.21 g/mol. Its IUPAC name is 4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione
PubChem CID69217138
Molecular FormulaC14H7F4NO3
Molecular Weight313.21 g/mol
Exact Mass313.04
IUPAC Name4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(C(F)(F)F)o2)c2cccc(F)c21
InChIInChI=1S/C14H7F4NO3/c15-8-2-1-3-9-11(8)12(20)13(21)19(9)6-7-4-5-10(22-7)14(16,17)18/h1-5H,6H2
InChIKeyLWOISSVDIFEBFE-UHFFFAOYSA-N
XLogP3.17
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione?
The IUPAC name of 4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione (CID 69217138) is 4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione.
What is the SMILES notation for 4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione?
The canonical SMILES for 4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccc(C(F)(F)F)o2)c2cccc(F)c21.
What is the InChIKey of 4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione?
The InChIKey is LWOISSVDIFEBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F4NO3/c15-8-2-1-3-9-11(8)12(20)13(21)19(9)6-7-4-5-10(22-7)14(16,17)18/h1-5H,6H2.
What are the key properties of 4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione?
4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione has a molecular weight of 313.21 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione is sourced from PubChem (CID 69217138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).