1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine

C13H14F7N3O — CID 167756362

IUPAC1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
SMILESFC(F)C(F)(F)CN1CCN(c2ccc(OC(F)(F)F)cn2)CC1
InChIInChI=1S/C13H14F7N3O/c14-11(15)12(16,17)8-22-3-5-23(6-4-22)10-2-1-9(7-21-10)24-13(18,19)20/h1-2,7,11H,3-6,8H2
InChIKeyYZOVUFAHKKTMCT-UHFFFAOYSA-N
MW361.26 g/mol
LogP3.00
Rot. Bonds5

About 1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine

1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine (PubChem CID 167756362) has the molecular formula C13H14F7N3O and a molecular weight of 361.26 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
PubChem CID167756362
Molecular FormulaC13H14F7N3O
Molecular Weight361.26 g/mol
Exact Mass361.10
IUPAC Name1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
SMILESFC(F)C(F)(F)CN1CCN(c2ccc(OC(F)(F)F)cn2)CC1
InChIInChI=1S/C13H14F7N3O/c14-11(15)12(16,17)8-22-3-5-23(6-4-22)10-2-1-9(7-21-10)24-13(18,19)20/h1-2,7,11H,3-6,8H2
InChIKeyYZOVUFAHKKTMCT-UHFFFAOYSA-N
XLogP3.00
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine (CID 167756362) is 1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine is FC(F)C(F)(F)CN1CCN(c2ccc(OC(F)(F)F)cn2)CC1.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine?
The InChIKey is YZOVUFAHKKTMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F7N3O/c14-11(15)12(16,17)8-22-3-5-23(6-4-22)10-2-1-9(7-21-10)24-13(18,19)20/h1-2,7,11H,3-6,8H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine?
1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine has a molecular weight of 361.26 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine is sourced from PubChem (CID 167756362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).