7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H23F2NO4 — CID 78255171

IUPAC7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1C2=C(OC3CCC(F)CC13)C(=O)N(CC1CCCO1)C2c1ccc(F)cc1
InChIInChI=1S/C22H23F2NO4/c23-13-5-3-12(4-6-13)19-18-20(26)16-10-14(24)7-8-17(16)29-21(18)22(27)25(19)11-15-2-1-9-28-15/h3-6,14-17,19H,1-2,7-11H2
InChIKeyUZZFLKNWWSBFLN-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.25
Rot. Bonds3

About 7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 78255171) has the molecular formula C22H23F2NO4 and a molecular weight of 403.43 g/mol. Its IUPAC name is 7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID78255171
Molecular FormulaC22H23F2NO4
Molecular Weight403.43 g/mol
Exact Mass403.16
IUPAC Name7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1C2=C(OC3CCC(F)CC13)C(=O)N(CC1CCCO1)C2c1ccc(F)cc1
InChIInChI=1S/C22H23F2NO4/c23-13-5-3-12(4-6-13)19-18-20(26)16-10-14(24)7-8-17(16)29-21(18)22(27)25(19)11-15-2-1-9-28-15/h3-6,14-17,19H,1-2,7-11H2
InChIKeyUZZFLKNWWSBFLN-UHFFFAOYSA-N
XLogP3.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

2-(oxolan-2-ylmethyl)-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78254690
1-(4-tert-butylphenyl)-6,7-dimethyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78256185
1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78255246
7-fluoro-2-(furan-2-ylmethyl)-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78330891
1-(4-fluorophenyl)-2-(2-methoxyethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74715953
7-chloro-2-[(4-fluorophenyl)methyl]-1-(4-hydroxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261576
7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78224278
2-[2-(diethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78383737
methyl 4-[7-fluoro-3,9-dioxo-2-(3-propan-2-yloxypropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 78254498
1-(4-chlorophenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78255140
(4Z)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CID 108642669
2-benzyl-7-fluoro-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74694728

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 78255171) is 7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1C2=C(OC3CCC(F)CC13)C(=O)N(CC1CCCO1)C2c1ccc(F)cc1.
What is the InChIKey of 7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UZZFLKNWWSBFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2NO4/c23-13-5-3-12(4-6-13)19-18-20(26)16-10-14(24)7-8-17(16)29-21(18)22(27)25(19)11-15-2-1-9-28-15/h3-6,14-17,19H,1-2,7-11H2.
What are the key properties of 7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 403.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 78255171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).