1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol

C10H10F2N2O4 — CID 106673290

IUPAC1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol
SMILESO=[N+]([O-])c1c(F)cc(F)cc1N1CC(O)C(O)C1
InChIInChI=1S/C10H10F2N2O4/c11-5-1-6(12)10(14(17)18)7(2-5)13-3-8(15)9(16)4-13/h1-2,8-9,15-16H,3-4H2
InChIKeyMHBHCYCYWVTZLR-UHFFFAOYSA-N
MW260.20 g/mol
LogP0.41
Rot. Bonds2

About 1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol

1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol (PubChem CID 106673290) has the molecular formula C10H10F2N2O4 and a molecular weight of 260.20 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol
PubChem CID106673290
Molecular FormulaC10H10F2N2O4
Molecular Weight260.20 g/mol
Exact Mass260.06
IUPAC Name1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol
SMILESO=[N+]([O-])c1c(F)cc(F)cc1N1CC(O)C(O)C1
InChIInChI=1S/C10H10F2N2O4/c11-5-1-6(12)10(14(17)18)7(2-5)13-3-8(15)9(16)4-13/h1-2,8-9,15-16H,3-4H2
InChIKeyMHBHCYCYWVTZLR-UHFFFAOYSA-N
XLogP0.41
TPSA86.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol
CID 113325746
5-(3,5-difluoro-2-nitrophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115509777
methyl 1-(3,5-difluoro-2-nitrophenyl)piperidine-3-carboxylate
CID 115538389
2-[1-(3,5-difluoro-2-nitrophenyl)piperidin-3-yl]ethanamine
CID 115509749
1-[1-(3,5-difluoro-2-nitrophenyl)piperidin-4-yl]ethanamine
CID 115509733
1-(3,5-difluoro-2-nitrophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 115509863
1-[1-(3,5-difluoro-2-nitrophenyl)piperidin-3-yl]ethanamine
CID 115509750
1-(3,5-difluoro-2-nitrophenyl)piperazine-2-carboxamide
CID 115509763
1-(3,5-difluoro-2-nitrophenyl)pyrazole-3-carboxylic acid
CID 115509879
1-(3,5-difluoro-2-nitrophenyl)-2-methylpiperidine-2-carboxylic acid
CID 104595753
3,5-difluoro-2-nitrobenzoic acid
CID 2783365
2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol
CID 115507892

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol (CID 106673290) is 1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol is O=[N+]([O-])c1c(F)cc(F)cc1N1CC(O)C(O)C1.
What is the InChIKey of 1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol?
The InChIKey is MHBHCYCYWVTZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O4/c11-5-1-6(12)10(14(17)18)7(2-5)13-3-8(15)9(16)4-13/h1-2,8-9,15-16H,3-4H2.
What are the key properties of 1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol?
1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol has a molecular weight of 260.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106673290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).