2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine

C8H11F7N2O2 — CID 54603110

IUPAC2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine
SMILESC1CNCCN1.O=C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF7O2.C4H10N2/c5-2(6,1(12)13)3(7,8)4(9,10)11;1-2-6-4-3-5-1/h(H,12,13);5-6H,1-4H2
InChIKeyPOEBVXSZGLONDM-UHFFFAOYSA-N
MW300.17 g/mol
LogP1.08
Rot. Bonds2

About 2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine

2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine (PubChem CID 54603110) has the molecular formula C8H11F7N2O2 and a molecular weight of 300.17 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine
PubChem CID54603110
Molecular FormulaC8H11F7N2O2
Molecular Weight300.17 g/mol
Exact Mass300.07
IUPAC Name2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine
SMILESC1CNCCN1.O=C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF7O2.C4H10N2/c5-2(6,1(12)13)3(7,8)4(9,10)11;1-2-6-4-3-5-1/h(H,12,13);5-6H,1-4H2
InChIKeyPOEBVXSZGLONDM-UHFFFAOYSA-N
XLogP1.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine?
The IUPAC name of 2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine (CID 54603110) is 2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine is C1CNCCN1.O=C(O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine?
The InChIKey is POEBVXSZGLONDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O2.C4H10N2/c5-2(6,1(12)13)3(7,8)4(9,10)11;1-2-6-4-3-5-1/h(H,12,13);5-6H,1-4H2.
What are the key properties of 2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine?
2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine has a molecular weight of 300.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluorobutanoic acid;piperazine is sourced from PubChem (CID 54603110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).