2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine

C12H13F4NO — CID 103289558

IUPAC2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine
SMILESFc1cc(F)c(F)c(OCC2CCCCN2)c1F
InChIInChI=1S/C12H13F4NO/c13-8-5-9(14)11(16)12(10(8)15)18-6-7-3-1-2-4-17-7/h5,7,17H,1-4,6H2
InChIKeyMGMGXIGYPCILOH-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.76
Rot. Bonds3

About 2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine

2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine (PubChem CID 103289558) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine
PubChem CID103289558
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine
SMILESFc1cc(F)c(F)c(OCC2CCCCN2)c1F
InChIInChI=1S/C12H13F4NO/c13-8-5-9(14)11(16)12(10(8)15)18-6-7-3-1-2-4-17-7/h5,7,17H,1-4,6H2
InChIKeyMGMGXIGYPCILOH-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
CID 71643590
2-[(2,3,5-trifluorophenyl)methyl]piperidine
CID 117118174
2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
3-fluoro-4-(piperidin-2-ylmethoxy)benzamide
CID 62349426
2,3,5,6-tetrafluoro-N-(pyrrolidin-2-ylmethyl)aniline
CID 107643785
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 102820104
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
CID 117118178
2-[bis(4-fluorophenyl)methoxymethyl]piperidine
CID 171986478
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
3,5-dimethyl-4-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 65470583

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine?
The IUPAC name of 2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine (CID 103289558) is 2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine.
What is the SMILES notation for 2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine?
The canonical SMILES for 2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine is Fc1cc(F)c(F)c(OCC2CCCCN2)c1F.
What is the InChIKey of 2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine?
The InChIKey is MGMGXIGYPCILOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c13-8-5-9(14)11(16)12(10(8)15)18-6-7-3-1-2-4-17-7/h5,7,17H,1-4,6H2.
What are the key properties of 2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine?
2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine has a molecular weight of 263.23 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine is sourced from PubChem (CID 103289558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).