3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine

C10H10ClFN2O3 — CID 66079206

IUPAC3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine
SMILESO=[N+]([O-])c1cc(Cl)c(F)cc1OC1CCNC1
InChIInChI=1S/C10H10ClFN2O3/c11-7-3-9(14(15)16)10(4-8(7)12)17-6-1-2-13-5-6/h3-4,6,13H,1-2,5H2
InChIKeyJTFKODJUTBZZES-UHFFFAOYSA-N
MW260.65 g/mol
LogP2.13
Rot. Bonds3

About 3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine

3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine (PubChem CID 66079206) has the molecular formula C10H10ClFN2O3 and a molecular weight of 260.65 g/mol. Its IUPAC name is 3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine.

Molecular Properties

Compound Name3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine
PubChem CID66079206
Molecular FormulaC10H10ClFN2O3
Molecular Weight260.65 g/mol
Exact Mass260.04
IUPAC Name3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine
SMILESO=[N+]([O-])c1cc(Cl)c(F)cc1OC1CCNC1
InChIInChI=1S/C10H10ClFN2O3/c11-7-3-9(14(15)16)10(4-8(7)12)17-6-1-2-13-5-6/h3-4,6,13H,1-2,5H2
InChIKeyJTFKODJUTBZZES-UHFFFAOYSA-N
XLogP2.13
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 52.13
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 3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine 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

3-(4,5-difluoro-2-nitrophenoxy)azetidine
CID 139591719
3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine
CID 66077267
4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine
CID 103594346
3-(2-fluoro-4-nitrophenoxy)pyrrolidine
CID 62328282
3-nitro-4-pyrrolidin-3-yloxybenzonitrile
CID 62327417
(3S)-3-(4-methoxy-2-nitrophenoxy)pyrrolidine
CID 115460380
3-(2,5-difluoro-4-nitrophenoxy)azetidine
CID 63597612
(3S)-3-(5-chloro-2-methyl-4-nitrophenoxy)piperidine
CID 115556289
(3R)-3-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)oxy]pyrrolidine
CID 129284143
3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine
CID 63599233
1-chloro-4-[chloro(difluoro)methoxy]-2-fluoro-5-nitrobenzene
CID 71669366
5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine
CID 106750141

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine?
The IUPAC name of 3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine (CID 66079206) is 3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine.
What is the SMILES notation for 3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine?
The canonical SMILES for 3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine is O=[N+]([O-])c1cc(Cl)c(F)cc1OC1CCNC1.
What is the InChIKey of 3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine?
The InChIKey is JTFKODJUTBZZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O3/c11-7-3-9(14(15)16)10(4-8(7)12)17-6-1-2-13-5-6/h3-4,6,13H,1-2,5H2.
What are the key properties of 3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine?
3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine has a molecular weight of 260.65 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine is sourced from PubChem (CID 66079206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).