2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid

C17H10F2N2O4 — CID 138496469

IUPAC2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid
SMILESO=C(O)Cc1cc(F)cc2c1-c1ccc(F)cc1C21NC(=O)NC1=O
InChIInChI=1S/C17H10F2N2O4/c18-8-1-2-10-11(5-8)17(15(24)20-16(25)21-17)12-6-9(19)3-7(14(10)12)4-13(22)23/h1-3,5-6H,4H2,(H,22,23)(H2,20,21,24,25)
InChIKeyGOUDRURPKZJLPT-UHFFFAOYSA-N
MW344.27 g/mol
LogP1.66
Rot. Bonds2

About 2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid

2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid (PubChem CID 138496469) has the molecular formula C17H10F2N2O4 and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid
PubChem CID138496469
Molecular FormulaC17H10F2N2O4
Molecular Weight344.27 g/mol
Exact Mass344.06
IUPAC Name2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid
SMILESO=C(O)Cc1cc(F)cc2c1-c1ccc(F)cc1C21NC(=O)NC1=O
InChIInChI=1S/C17H10F2N2O4/c18-8-1-2-10-11(5-8)17(15(24)20-16(25)21-17)12-6-9(19)3-7(14(10)12)4-13(22)23/h1-3,5-6H,4H2,(H,22,23)(H2,20,21,24,25)
InChIKeyGOUDRURPKZJLPT-UHFFFAOYSA-N
XLogP1.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid?
The IUPAC name of 2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid (CID 138496469) is 2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid.
What is the SMILES notation for 2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid?
The canonical SMILES for 2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid is O=C(O)Cc1cc(F)cc2c1-c1ccc(F)cc1C21NC(=O)NC1=O.
What is the InChIKey of 2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid?
The InChIKey is GOUDRURPKZJLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N2O4/c18-8-1-2-10-11(5-8)17(15(24)20-16(25)21-17)12-6-9(19)3-7(14(10)12)4-13(22)23/h1-3,5-6H,4H2,(H,22,23)(H2,20,21,24,25).
What are the key properties of 2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid?
2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid has a molecular weight of 344.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-difluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-4-yl)acetic acid is sourced from PubChem (CID 138496469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).