1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol

C10H10F2N2O3 — CID 113325746

IUPAC1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol
SMILESO=[N+]([O-])c1c(F)cc(F)cc1N1CCC(O)C1
InChIInChI=1S/C10H10F2N2O3/c11-6-3-8(12)10(14(16)17)9(4-6)13-2-1-7(15)5-13/h3-4,7,15H,1-2,5H2
InChIKeyFJEJVEIXSASAPA-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.44
Rot. Bonds2

About 1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol

1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol (PubChem CID 113325746) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol
PubChem CID113325746
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol
SMILESO=[N+]([O-])c1c(F)cc(F)cc1N1CCC(O)C1
InChIInChI=1S/C10H10F2N2O3/c11-6-3-8(12)10(14(16)17)9(4-6)13-2-1-7(15)5-13/h3-4,7,15H,1-2,5H2
InChIKeyFJEJVEIXSASAPA-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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'}

Analyze 1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol
CID 106673290
methyl 1-(3,5-difluoro-2-nitrophenyl)piperidine-3-carboxylate
CID 115538389
1-[1-(3,5-difluoro-2-nitrophenyl)piperidin-4-yl]ethanamine
CID 115509733
2-[1-(3,5-difluoro-2-nitrophenyl)piperidin-3-yl]ethanamine
CID 115509749
1-[1-(3,5-difluoro-2-nitrophenyl)piperidin-3-yl]ethanamine
CID 115509750
5-(3,5-difluoro-2-nitrophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115509777
1-(5-fluoro-4-iodo-2-nitrophenyl)pyrrolidin-3-ol
CID 66101666
1-(2,6-difluoro-4-nitrophenyl)pyrrolidin-3-ol
CID 58296081
(3S)-1-(5-methyl-2-nitrophenyl)pyrrolidin-3-ol
CID 103748333
1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol
CID 80919019
1-(3,5-difluoro-2-nitrophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 115509863
(3R)-1-(3-ethoxy-2-nitrophenyl)pyrrolidin-3-ol
CID 113423410

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol (CID 113325746) is 1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol is O=[N+]([O-])c1c(F)cc(F)cc1N1CCC(O)C1.
What is the InChIKey of 1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol?
The InChIKey is FJEJVEIXSASAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c11-6-3-8(12)10(14(16)17)9(4-6)13-2-1-7(15)5-13/h3-4,7,15H,1-2,5H2.
What are the key properties of 1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol?
1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol has a molecular weight of 244.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 113325746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).