1-(10-fluorotricosyl)pyrrole-2,5-dione

C27H48FNO2 — CID 175352052

IUPAC1-(10-fluorotricosyl)pyrrole-2,5-dione
SMILESCCCCCCCCCCCCCC(F)CCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C27H48FNO2/c1-2-3-4-5-6-7-8-9-11-14-17-20-25(28)21-18-15-12-10-13-16-19-24-29-26(30)22-23-27(29)31/h22-23,25H,2-21,24H2,1H3
InChIKeyIQARVDPZAJAKLJ-UHFFFAOYSA-N
MW437.68 g/mol
LogP8.07
Rot. Bonds22

About 1-(10-fluorotricosyl)pyrrole-2,5-dione

1-(10-fluorotricosyl)pyrrole-2,5-dione (PubChem CID 175352052) has the molecular formula C27H48FNO2 and a molecular weight of 437.68 g/mol. Its IUPAC name is 1-(10-fluorotricosyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(10-fluorotricosyl)pyrrole-2,5-dione
PubChem CID175352052
Molecular FormulaC27H48FNO2
Molecular Weight437.68 g/mol
Exact Mass437.37
IUPAC Name1-(10-fluorotricosyl)pyrrole-2,5-dione
SMILESCCCCCCCCCCCCCC(F)CCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C27H48FNO2/c1-2-3-4-5-6-7-8-9-11-14-17-20-25(28)21-18-15-12-10-13-16-19-24-29-26(30)22-23-27(29)31/h22-23,25H,2-21,24H2,1H3
InChIKeyIQARVDPZAJAKLJ-UHFFFAOYSA-N
XLogP8.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.68
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(10-fluorotricosyl)pyrrole-2,5-dione?
The IUPAC name of 1-(10-fluorotricosyl)pyrrole-2,5-dione (CID 175352052) is 1-(10-fluorotricosyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(10-fluorotricosyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(10-fluorotricosyl)pyrrole-2,5-dione is CCCCCCCCCCCCCC(F)CCCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(10-fluorotricosyl)pyrrole-2,5-dione?
The InChIKey is IQARVDPZAJAKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48FNO2/c1-2-3-4-5-6-7-8-9-11-14-17-20-25(28)21-18-15-12-10-13-16-19-24-29-26(30)22-23-27(29)31/h22-23,25H,2-21,24H2,1H3.
What are the key properties of 1-(10-fluorotricosyl)pyrrole-2,5-dione?
1-(10-fluorotricosyl)pyrrole-2,5-dione has a molecular weight of 437.68 g/mol, XLogP of 8.07, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-fluorotricosyl)pyrrole-2,5-dione is sourced from PubChem (CID 175352052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).