7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H19F4NO3 — CID 18856213

IUPAC7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)c1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C27H19F4NO3/c1-14(2)15-6-8-16(9-7-15)23-22-24(33)20-13-18(28)10-11-21(20)35-25(22)26(34)32(23)19-5-3-4-17(12-19)27(29,30)31/h3-14,23H,1-2H3
InChIKeyGXMCNVXIEVOMLB-UHFFFAOYSA-N
MW481.45 g/mol
LogP6.82
Rot. Bonds3

About 7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856213) has the molecular formula C27H19F4NO3 and a molecular weight of 481.45 g/mol. Its IUPAC name is 7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18856213
Molecular FormulaC27H19F4NO3
Molecular Weight481.45 g/mol
Exact Mass481.13
IUPAC Name7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)c1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C27H19F4NO3/c1-14(2)15-6-8-16(9-7-15)23-22-24(33)20-13-18(28)10-11-21(20)35-25(22)26(34)32(23)19-5-3-4-17(12-19)27(29,30)31/h3-14,23H,1-2H3
InChIKeyGXMCNVXIEVOMLB-UHFFFAOYSA-N
XLogP6.82
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.45
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856213) is 7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)c1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GXMCNVXIEVOMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F4NO3/c1-14(2)15-6-8-16(9-7-15)23-22-24(33)20-13-18(28)10-11-21(20)35-25(22)26(34)32(23)19-5-3-4-17(12-19)27(29,30)31/h3-14,23H,1-2H3.
What are the key properties of 7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 481.45 g/mol, XLogP of 6.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).