1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine

C13H15F5N2O — CID 173335330

IUPAC1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine
SMILESFC(F)(F)C(F)(F)COc1ccccc1N1CCNCC1
InChIInChI=1S/C13H15F5N2O/c14-12(15,13(16,17)18)9-21-11-4-2-1-3-10(11)20-7-5-19-6-8-20/h1-4,19H,5-9H2
InChIKeyZTLRUICFHXYLGU-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.67
Rot. Bonds4

About 1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine

1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine (PubChem CID 173335330) has the molecular formula C13H15F5N2O and a molecular weight of 310.27 g/mol. Its IUPAC name is 1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine
PubChem CID173335330
Molecular FormulaC13H15F5N2O
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine
SMILESFC(F)(F)C(F)(F)COc1ccccc1N1CCNCC1
InChIInChI=1S/C13H15F5N2O/c14-12(15,13(16,17)18)9-21-11-4-2-1-3-10(11)20-7-5-19-6-8-20/h1-4,19H,5-9H2
InChIKeyZTLRUICFHXYLGU-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.67
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

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CID 142040905
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4-(2-piperazin-1-ylphenoxy)butanenitrile
CID 114284674
1-[2-(3-methylbut-2-enoxy)phenyl]piperazine
CID 114284672
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-1,4-diazepane
CID 115943307
1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride
CID 67387967
1-(2-phenoxyphenyl)piperazine
CID 12996705
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-[2-(2-methylbutoxy)phenyl]-1,4-diazepane
CID 55037049
1-[2-(3-ethoxypropoxy)phenyl]-1,4-diazepane
CID 65181009

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine?
The IUPAC name of 1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine (CID 173335330) is 1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine.
What is the SMILES notation for 1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine?
The canonical SMILES for 1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine is FC(F)(F)C(F)(F)COc1ccccc1N1CCNCC1.
What is the InChIKey of 1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine?
The InChIKey is ZTLRUICFHXYLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N2O/c14-12(15,13(16,17)18)9-21-11-4-2-1-3-10(11)20-7-5-19-6-8-20/h1-4,19H,5-9H2.
What are the key properties of 1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine?
1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine has a molecular weight of 310.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine is sourced from PubChem (CID 173335330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).