2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine

C13H14F5NO2 — CID 91592230

IUPAC2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine
SMILESFC(F)(F)C(F)(F)Oc1cccc(OC2CCCCN2)c1
InChIInChI=1S/C13H14F5NO2/c14-12(15,16)13(17,18)21-10-5-3-4-9(8-10)20-11-6-1-2-7-19-11/h3-5,8,11,19H,1-2,6-7H2
InChIKeyUJDIUAVYSXSADV-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.70
Rot. Bonds4

About 2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine

2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine (PubChem CID 91592230) has the molecular formula C13H14F5NO2 and a molecular weight of 311.25 g/mol. Its IUPAC name is 2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine.

Molecular Properties

Compound Name2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine
PubChem CID91592230
Molecular FormulaC13H14F5NO2
Molecular Weight311.25 g/mol
Exact Mass311.09
IUPAC Name2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine
SMILESFC(F)(F)C(F)(F)Oc1cccc(OC2CCCCN2)c1
InChIInChI=1S/C13H14F5NO2/c14-12(15,16)13(17,18)21-10-5-3-4-9(8-10)20-11-6-1-2-7-19-11/h3-5,8,11,19H,1-2,6-7H2
InChIKeyUJDIUAVYSXSADV-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethylphenoxy)piperidine
CID 91241218
3-[3-(trifluoromethoxy)phenoxy]-9-azabicyclo[3.3.1]nonane
CID 66840207
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
3-[3-(trifluoromethyl)phenoxy]piperidin-2-one
CID 138484952
2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine
CID 106778899
[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]phosphanium tetrafluoroborate
CID 175387002
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine
CID 171195260
4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine
CID 67168614
3-(2-oxoazepan-3-yl)oxybenzoic acid
CID 43176358
6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 67168125
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195261
2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine
CID 162568208

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine?
The IUPAC name of 2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine (CID 91592230) is 2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine.
What is the SMILES notation for 2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine?
The canonical SMILES for 2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine is FC(F)(F)C(F)(F)Oc1cccc(OC2CCCCN2)c1.
What is the InChIKey of 2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine?
The InChIKey is UJDIUAVYSXSADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5NO2/c14-12(15,16)13(17,18)21-10-5-3-4-9(8-10)20-11-6-1-2-7-19-11/h3-5,8,11,19H,1-2,6-7H2.
What are the key properties of 2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine?
2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine has a molecular weight of 311.25 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1,2,2,2-pentafluoroethoxy)phenoxy]piperidine is sourced from PubChem (CID 91592230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).