4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine

C11H10ClF4N — CID 117116603

IUPAC4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine
SMILESFc1c(F)c(C2CCNCC2)c(F)c(F)c1Cl
InChIInChI=1S/C11H10ClF4N/c12-7-10(15)8(13)6(9(14)11(7)16)5-1-3-17-4-2-5/h5,17H,1-4H2
InChIKeySOUFRJFKPMNOFM-UHFFFAOYSA-N
MW267.65 g/mol
LogP3.36
Rot. Bonds1

About 4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine

4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine (PubChem CID 117116603) has the molecular formula C11H10ClF4N and a molecular weight of 267.65 g/mol. Its IUPAC name is 4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine.

Molecular Properties

Compound Name4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine
PubChem CID117116603
Molecular FormulaC11H10ClF4N
Molecular Weight267.65 g/mol
Exact Mass267.04
IUPAC Name4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine
SMILESFc1c(F)c(C2CCNCC2)c(F)c(F)c1Cl
InChIInChI=1S/C11H10ClF4N/c12-7-10(15)8(13)6(9(14)11(7)16)5-1-3-17-4-2-5/h5,17H,1-4H2
InChIKeySOUFRJFKPMNOFM-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.65
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine 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-(2-bromo-4-chloro-3,5,6-trifluorophenyl)pyrrolidine
CID 117116714
4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
CID 84790268
5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol
CID 117366624
4-(3,5-dichloro-4-fluorophenyl)piperidine
CID 117372762
4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine
CID 84802229
3,5-difluoro-4-piperidin-4-ylphenol
CID 84782646
5-chloro-6-fluoro-4-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one
CID 87648592
3-chloro-2-fluoro-5-piperidin-4-ylphenol
CID 84793263
4-(4-tert-butyl-2,6-difluorophenyl)piperidine
CID 121475944
4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol
CID 84800158
2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol
CID 84701640
4-(2,6-difluoro-4-propan-2-ylphenyl)piperidine
CID 130179117

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine?
The IUPAC name of 4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine (CID 117116603) is 4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine.
What is the SMILES notation for 4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine?
The canonical SMILES for 4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine is Fc1c(F)c(C2CCNCC2)c(F)c(F)c1Cl.
What is the InChIKey of 4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine?
The InChIKey is SOUFRJFKPMNOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF4N/c12-7-10(15)8(13)6(9(14)11(7)16)5-1-3-17-4-2-5/h5,17H,1-4H2.
What are the key properties of 4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine?
4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine has a molecular weight of 267.65 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine is sourced from PubChem (CID 117116603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).