2-(5-chloro-2,3-difluorophenyl)piperidine

C11H12ClF2N — CID 84795035

IUPAC2-(5-chloro-2,3-difluorophenyl)piperidine
SMILESFc1cc(Cl)cc(C2CCCCN2)c1F
InChIInChI=1S/C11H12ClF2N/c12-7-5-8(11(14)9(13)6-7)10-3-1-2-4-15-10/h5-6,10,15H,1-4H2
InChIKeyLGAIPLYIYLVWMZ-UHFFFAOYSA-N
MW231.67 g/mol
LogP3.43
Rot. Bonds1

About 2-(5-chloro-2,3-difluorophenyl)piperidine

2-(5-chloro-2,3-difluorophenyl)piperidine (PubChem CID 84795035) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 2-(5-chloro-2,3-difluorophenyl)piperidine.

Molecular Properties

Compound Name2-(5-chloro-2,3-difluorophenyl)piperidine
PubChem CID84795035
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name2-(5-chloro-2,3-difluorophenyl)piperidine
SMILESFc1cc(Cl)cc(C2CCCCN2)c1F
InChIInChI=1S/C11H12ClF2N/c12-7-5-8(11(14)9(13)6-7)10-3-1-2-4-15-10/h5-6,10,15H,1-4H2
InChIKeyLGAIPLYIYLVWMZ-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2,3-difluorophenyl)pyrrolidine
CID 84785733
2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
CID 171196335
2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine
CID 117396450
2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine
CID 117440261
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine
CID 117116819
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine
CID 117409054
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
2-(2-bromo-3,4-difluorophenyl)piperidine
CID 84714328

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-difluorophenyl)piperidine?
The IUPAC name of 2-(5-chloro-2,3-difluorophenyl)piperidine (CID 84795035) is 2-(5-chloro-2,3-difluorophenyl)piperidine.
What is the SMILES notation for 2-(5-chloro-2,3-difluorophenyl)piperidine?
The canonical SMILES for 2-(5-chloro-2,3-difluorophenyl)piperidine is Fc1cc(Cl)cc(C2CCCCN2)c1F.
What is the InChIKey of 2-(5-chloro-2,3-difluorophenyl)piperidine?
The InChIKey is LGAIPLYIYLVWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c12-7-5-8(11(14)9(13)6-7)10-3-1-2-4-15-10/h5-6,10,15H,1-4H2.
What are the key properties of 2-(5-chloro-2,3-difluorophenyl)piperidine?
2-(5-chloro-2,3-difluorophenyl)piperidine has a molecular weight of 231.67 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-difluorophenyl)piperidine is sourced from PubChem (CID 84795035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).