2-chloro-3,5-difluoro-4-piperidin-3-ylphenol

C11H12ClF2NO — CID 117372322

IUPAC2-chloro-3,5-difluoro-4-piperidin-3-ylphenol
SMILESOc1cc(F)c(C2CCCNC2)c(F)c1Cl
InChIInChI=1S/C11H12ClF2NO/c12-10-8(16)4-7(13)9(11(10)14)6-2-1-3-15-5-6/h4,6,15-16H,1-3,5H2
InChIKeyVWMIDIZEYVOPNL-UHFFFAOYSA-N
MW247.67 g/mol
LogP2.79
Rot. Bonds1

About 2-chloro-3,5-difluoro-4-piperidin-3-ylphenol

2-chloro-3,5-difluoro-4-piperidin-3-ylphenol (PubChem CID 117372322) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is 2-chloro-3,5-difluoro-4-piperidin-3-ylphenol.

Molecular Properties

Compound Name2-chloro-3,5-difluoro-4-piperidin-3-ylphenol
PubChem CID117372322
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name2-chloro-3,5-difluoro-4-piperidin-3-ylphenol
SMILESOc1cc(F)c(C2CCCNC2)c(F)c1Cl
InChIInChI=1S/C11H12ClF2NO/c12-10-8(16)4-7(13)9(11(10)14)6-2-1-3-15-5-6/h4,6,15-16H,1-3,5H2
InChIKeyVWMIDIZEYVOPNL-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-methyl-4-piperidin-3-ylbenzene-1,2-diol
CID 117356245
4,5-difluoro-2-piperidin-3-ylphenol
CID 84679573
2-fluoro-5-piperidin-3-ylbenzene-1,4-diol
CID 117301308
2-fluoro-4-piperidin-3-ylphenol
CID 82606236
3-(4-bromo-2-chloro-3-fluorophenyl)piperidine
CID 117472474
2-fluoro-5-methyl-3-piperidin-3-ylphenol
CID 117298905
3-(2,3,4,5-tetrafluorophenyl)piperidine
CID 117116503
4-chloro-3-piperidin-3-ylphenol
CID 84678781
2,4-difluoro-6-piperidin-3-ylphenol
CID 84782649
3-(3-chloro-5-fluorophenyl)piperidine
CID 24904336
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine
CID 117385756

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,5-difluoro-4-piperidin-3-ylphenol?
The IUPAC name of 2-chloro-3,5-difluoro-4-piperidin-3-ylphenol (CID 117372322) is 2-chloro-3,5-difluoro-4-piperidin-3-ylphenol.
What is the SMILES notation for 2-chloro-3,5-difluoro-4-piperidin-3-ylphenol?
The canonical SMILES for 2-chloro-3,5-difluoro-4-piperidin-3-ylphenol is Oc1cc(F)c(C2CCCNC2)c(F)c1Cl.
What is the InChIKey of 2-chloro-3,5-difluoro-4-piperidin-3-ylphenol?
The InChIKey is VWMIDIZEYVOPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c12-10-8(16)4-7(13)9(11(10)14)6-2-1-3-15-5-6/h4,6,15-16H,1-3,5H2.
What are the key properties of 2-chloro-3,5-difluoro-4-piperidin-3-ylphenol?
2-chloro-3,5-difluoro-4-piperidin-3-ylphenol has a molecular weight of 247.67 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5-difluoro-4-piperidin-3-ylphenol is sourced from PubChem (CID 117372322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).