1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine

C11H11F3N2O2 — CID 135052358

IUPAC1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine
SMILESO=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCCC1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-3-4-9(16(17)18)10(7-8)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2
InChIKeyRKZUDBOSARUULL-UHFFFAOYSA-N
MW260.21 g/mol
LogP3.21
Rot. Bonds2

About 1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine

1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 135052358) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID135052358
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine
SMILESO=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCCC1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-3-4-9(16(17)18)10(7-8)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2
InChIKeyRKZUDBOSARUULL-UHFFFAOYSA-N
XLogP3.21
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-nitro-5-(trifluoromethyl)phenyl]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

1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine
CID 160638927
1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine
CID 2775753
1-[2-nitro-4-(trifluoromethyl)phenyl]azonane
CID 58180864
1H-azepine;1-[2-nitro-4-(trifluoromethyl)phenyl]azepane
CID 158288495
1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine;piperidine
CID 158564580
4-nitro-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]benzonitrile
CID 133478173
4-[2-nitro-4-(trifluoromethyl)phenyl]thiomorpholine
CID 2732236
2-pyrrolidin-1-yl-4-(trifluoromethyl)benzenethiol
CID 144965090
4-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine
CID 26597740
1-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium
CID 7069039
1-[2-nitro-5-(trifluoromethyl)phenyl]-3H-pyrrol-2-one
CID 167459784
1-[2-ethynyl-5-(trifluoromethyl)phenyl]piperidine
CID 169489204

Frequently Asked Questions

What is the IUPAC name of 1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine (CID 135052358) is 1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine is O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCCC1.
What is the InChIKey of 1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is RKZUDBOSARUULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)8-3-4-9(16(17)18)10(7-8)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine?
1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 260.21 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 135052358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).