3-(3,4-difluoro-5-nitrophenyl)piperidine

C11H12F2N2O2 — CID 117357182

IUPAC3-(3,4-difluoro-5-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1cc(C2CCCNC2)cc(F)c1F
InChIInChI=1S/C11H12F2N2O2/c12-9-4-8(7-2-1-3-14-6-7)5-10(11(9)13)15(16)17/h4-5,7,14H,1-3,6H2
InChIKeyRJQNFMPKYULHDG-UHFFFAOYSA-N
MW242.22 g/mol
LogP2.34
Rot. Bonds2

About 3-(3,4-difluoro-5-nitrophenyl)piperidine

3-(3,4-difluoro-5-nitrophenyl)piperidine (PubChem CID 117357182) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 3-(3,4-difluoro-5-nitrophenyl)piperidine.

Molecular Properties

Compound Name3-(3,4-difluoro-5-nitrophenyl)piperidine
PubChem CID117357182
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name3-(3,4-difluoro-5-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1cc(C2CCCNC2)cc(F)c1F
InChIInChI=1S/C11H12F2N2O2/c12-9-4-8(7-2-1-3-14-6-7)5-10(11(9)13)15(16)17/h4-5,7,14H,1-3,6H2
InChIKeyRJQNFMPKYULHDG-UHFFFAOYSA-N
XLogP2.34
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoro-5-nitrophenyl)piperidine?
The IUPAC name of 3-(3,4-difluoro-5-nitrophenyl)piperidine (CID 117357182) is 3-(3,4-difluoro-5-nitrophenyl)piperidine.
What is the SMILES notation for 3-(3,4-difluoro-5-nitrophenyl)piperidine?
The canonical SMILES for 3-(3,4-difluoro-5-nitrophenyl)piperidine is O=[N+]([O-])c1cc(C2CCCNC2)cc(F)c1F.
What is the InChIKey of 3-(3,4-difluoro-5-nitrophenyl)piperidine?
The InChIKey is RJQNFMPKYULHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-9-4-8(7-2-1-3-14-6-7)5-10(11(9)13)15(16)17/h4-5,7,14H,1-3,6H2.
What are the key properties of 3-(3,4-difluoro-5-nitrophenyl)piperidine?
3-(3,4-difluoro-5-nitrophenyl)piperidine has a molecular weight of 242.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoro-5-nitrophenyl)piperidine is sourced from PubChem (CID 117357182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).