1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine

C13H15F5N2O — CID 171179796

IUPAC1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine
SMILESFC(F)Oc1ccc([C@@H](N2CCNCC2)C(F)(F)F)cc1
InChIInChI=1S/C13H15F5N2O/c14-12(15)21-10-3-1-9(2-4-10)11(13(16,17)18)20-7-5-19-6-8-20/h1-4,11-12,19H,5-8H2/t11-/m1/s1
InChIKeyZFYUFPUZWSTIHW-LLVKDONJSA-N
MW310.27 g/mol
LogP2.80
Rot. Bonds4

About 1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine

1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine (PubChem CID 171179796) has the molecular formula C13H15F5N2O and a molecular weight of 310.27 g/mol. Its IUPAC name is 1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine
PubChem CID171179796
Molecular FormulaC13H15F5N2O
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine
SMILESFC(F)Oc1ccc([C@@H](N2CCNCC2)C(F)(F)F)cc1
InChIInChI=1S/C13H15F5N2O/c14-12(15)21-10-3-1-9(2-4-10)11(13(16,17)18)20-7-5-19-6-8-20/h1-4,11-12,19H,5-8H2/t11-/m1/s1
InChIKeyZFYUFPUZWSTIHW-LLVKDONJSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171278260
(3S)-3-[4-(difluoromethoxy)phenyl]-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171176371
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171290841
1-[(1S)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]piperazine
CID 171176906
1-[(1R)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171180299
1-[(1S)-2,2,2-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
CID 171295848
trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride
CID 171176581
1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine
CID 171290872
1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171178570
1-[(1S)-2,2,2-trifluoro-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171293730
1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176375
1-[(1S)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethyl]piperazine;hydrochloride
CID 171177666

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine (CID 171179796) is 1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine is FC(F)Oc1ccc([C@@H](N2CCNCC2)C(F)(F)F)cc1.
What is the InChIKey of 1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine?
The InChIKey is ZFYUFPUZWSTIHW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15F5N2O/c14-12(15)21-10-3-1-9(2-4-10)11(13(16,17)18)20-7-5-19-6-8-20/h1-4,11-12,19H,5-8H2/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine?
1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine has a molecular weight of 310.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine is sourced from PubChem (CID 171179796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).