7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H18FNO4 — CID 663458

IUPAC7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccccc2)N1CC1CCCO1
InChIInChI=1S/C22H18FNO4/c23-14-8-9-17-16(11-14)20(25)18-19(13-5-2-1-3-6-13)24(22(26)21(18)28-17)12-15-7-4-10-27-15/h1-3,5-6,8-9,11,15,19H,4,7,10,12H2
InChIKeyYCPBUPMWTWFIAD-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.66
Rot. Bonds3

About 7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 663458) has the molecular formula C22H18FNO4 and a molecular weight of 379.39 g/mol. Its IUPAC name is 7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID663458
Molecular FormulaC22H18FNO4
Molecular Weight379.39 g/mol
Exact Mass379.12
IUPAC Name7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccccc2)N1CC1CCCO1
InChIInChI=1S/C22H18FNO4/c23-14-8-9-17-16(11-14)20(25)18-19(13-5-2-1-3-6-13)24(22(26)21(18)28-17)12-15-7-4-10-27-15/h1-3,5-6,8-9,11,15,19H,4,7,10,12H2
InChIKeyYCPBUPMWTWFIAD-UHFFFAOYSA-N
XLogP3.66
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 663458) is 7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccccc2)N1CC1CCCO1.
What is the InChIKey of 7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YCPBUPMWTWFIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO4/c23-14-8-9-17-16(11-14)20(25)18-19(13-5-2-1-3-6-13)24(22(26)21(18)28-17)12-15-7-4-10-27-15/h1-3,5-6,8-9,11,15,19H,4,7,10,12H2.
What are the key properties of 7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 379.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 663458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).