5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol

C10H10F2N2O3 — CID 168511371

IUPAC5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol
SMILESO=[N+]([O-])c1ccc(N2CCC(F)(F)C2)cc1O
InChIInChI=1S/C10H10F2N2O3/c11-10(12)3-4-13(6-10)7-1-2-8(14(16)17)9(15)5-7/h1-2,5,15H,3-4,6H2
InChIKeyAZUXYXHUZIELQT-UHFFFAOYSA-N
MW244.20 g/mol
LogP2.15
Rot. Bonds2

About 5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol

5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol (PubChem CID 168511371) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is 5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol.

Molecular Properties

Compound Name5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol
PubChem CID168511371
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol
SMILESO=[N+]([O-])c1ccc(N2CCC(F)(F)C2)cc1O
InChIInChI=1S/C10H10F2N2O3/c11-10(12)3-4-13(6-10)7-1-2-8(14(16)17)9(15)5-7/h1-2,5,15H,3-4,6H2
InChIKeyAZUXYXHUZIELQT-UHFFFAOYSA-N
XLogP2.15
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-bromo-2-nitrophenyl)-3,3-difluoropyrrolidine
CID 86810728
1-(3-iodo-4-nitrophenyl)-3,3-dimethylpyrrolidine
CID 103704702
1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol
CID 103761636
2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine
CID 86811016
3-amino-1-(3-cyano-4-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 107325343
2-nitro-4-pyrrolidin-1-ylphenol
CID 57325180
5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-nitrophenol
CID 71165211
1-(3-methoxy-4-nitrophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63670398
5-(3,3-dimethylpyrrolidin-1-yl)-2-nitrobenzonitrile
CID 113324277
3,3-difluoro-1-(4-fluorophenyl)pyrrolidine
CID 117007610
1-(3-iodo-4-nitrophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150517
2-methyl-6-[4-nitro-3-(trifluoromethyl)phenyl]-2,6-diazaspiro[3.4]octane
CID 122430191

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol?
The IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol (CID 168511371) is 5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol.
What is the SMILES notation for 5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol?
The canonical SMILES for 5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol is O=[N+]([O-])c1ccc(N2CCC(F)(F)C2)cc1O.
What is the InChIKey of 5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol?
The InChIKey is AZUXYXHUZIELQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c11-10(12)3-4-13(6-10)7-1-2-8(14(16)17)9(15)5-7/h1-2,5,15H,3-4,6H2.
What are the key properties of 5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol?
5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol has a molecular weight of 244.20 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropyrrolidin-1-yl)-2-nitrophenol is sourced from PubChem (CID 168511371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).