3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine

C11H11F3N2O2 — CID 86810649

IUPAC3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1cc(F)ccc1N1CCCC(F)(F)C1
InChIInChI=1S/C11H11F3N2O2/c12-8-2-3-9(10(6-8)16(17)18)15-5-1-4-11(13,14)7-15/h2-3,6H,1,4-5,7H2
InChIKeyCKSXOERKNDLLCZ-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.97
Rot. Bonds2

About 3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine

3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine (PubChem CID 86810649) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine
PubChem CID86810649
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1cc(F)ccc1N1CCCC(F)(F)C1
InChIInChI=1S/C11H11F3N2O2/c12-8-2-3-9(10(6-8)16(17)18)15-5-1-4-11(13,14)7-15/h2-3,6H,1,4-5,7H2
InChIKeyCKSXOERKNDLLCZ-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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'}

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Related Compounds

3-ethyl-1-(4-fluoro-2-nitrophenyl)piperidine-3-carboxylic acid
CID 63136387
1-(4-bromo-2-nitrophenyl)-3,3-difluoropyrrolidine
CID 86810728
3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine
CID 86811032
1-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435
4-(4-fluoro-2-nitrophenyl)thiomorpholine
CID 52679103
4-(3,3-difluoropiperidin-1-yl)-3-nitrobenzoic acid;4-(2-methylpiperidin-1-yl)-3-nitrobenzoic acid
CID 87433394
1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine
CID 115305543
2-(3,3-difluoropiperidin-1-yl)-4-nitrobenzaldehyde
CID 71651577
1-(4-fluoro-2-nitrophenyl)azetidin-3-amine
CID 65249693
1-(2,4-dinitrophenyl)-3-methylpiperidin-3-ol
CID 115871374
1-(4-fluoro-2-nitrophenyl)piperidine-4-carbaldehyde
CID 62662917
N-cyclopropyl-1-(4-fluoro-2-nitrophenyl)piperidin-4-amine
CID 133381166

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine?
The IUPAC name of 3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine (CID 86810649) is 3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine.
What is the SMILES notation for 3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine?
The canonical SMILES for 3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine is O=[N+]([O-])c1cc(F)ccc1N1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine?
The InChIKey is CKSXOERKNDLLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-8-2-3-9(10(6-8)16(17)18)15-5-1-4-11(13,14)7-15/h2-3,6H,1,4-5,7H2.
What are the key properties of 3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine?
3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine has a molecular weight of 260.21 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine is sourced from PubChem (CID 86810649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).