1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione

C8H10F3N2O2P — CID 145018907

IUPAC1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione
SMILESNCC(F)(P)C(F)(F)CN1C(=O)C=CC1=O
InChIInChI=1S/C8H10F3N2O2P/c9-7(10,8(11,16)3-12)4-13-5(14)1-2-6(13)15/h1-2H,3-4,12,16H2
InChIKeyVMDNUGBRHHGFSP-UHFFFAOYSA-N
MW254.15 g/mol
LogP0.05
Rot. Bonds4

About 1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione

1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione (PubChem CID 145018907) has the molecular formula C8H10F3N2O2P and a molecular weight of 254.15 g/mol. Its IUPAC name is 1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione
PubChem CID145018907
Molecular FormulaC8H10F3N2O2P
Molecular Weight254.15 g/mol
Exact Mass254.04
IUPAC Name1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione
SMILESNCC(F)(P)C(F)(F)CN1C(=O)C=CC1=O
InChIInChI=1S/C8H10F3N2O2P/c9-7(10,8(11,16)3-12)4-13-5(14)1-2-6(13)15/h1-2H,3-4,12,16H2
InChIKeyVMDNUGBRHHGFSP-UHFFFAOYSA-N
XLogP0.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate
CID 122407757
1-(2,2,4,4-tetramethylpentyl)pyrrole-2,5-dione
CID 123912604
1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione
CID 91352575
1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione
CID 139543847
1-(2-phosphanylethyl)pyrrole-2,5-dione
CID 170722879
1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione
CID 11157197
1-(3-amino-2-oxopropyl)pyrrole-2,5-dione
CID 174707284
2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium
CID 118890991
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
CID 155906513
1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride
CID 172909654
2-(2,5-dioxopyrrol-1-yl)acetyl chloride
CID 11829930
1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one
CID 167684364

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione (CID 145018907) is 1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione is NCC(F)(P)C(F)(F)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione?
The InChIKey is VMDNUGBRHHGFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N2O2P/c9-7(10,8(11,16)3-12)4-13-5(14)1-2-6(13)15/h1-2H,3-4,12,16H2.
What are the key properties of 1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione?
1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione has a molecular weight of 254.15 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,2,3-trifluoro-3-phosphanylbutyl)pyrrole-2,5-dione is sourced from PubChem (CID 145018907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).