bis(2,2,3,3,3-pentafluoropropanoic acid);piperazine

C10H12F10N2O4 — CID 131849469

IUPACbis(2,2,3,3,3-pentafluoropropanoic acid);piperazine
SMILESC1CNCCN1.O=C(O)C(F)(F)C(F)(F)F.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H10N2.2C3HF5O2/c1-2-6-4-3-5-1;2*4-2(5,1(9)10)3(6,7)8/h5-6H,1-4H2;2*(H,9,10)
InChIKeyWEXDJQCTJXMIKP-UHFFFAOYSA-N
MW414.20 g/mol
LogP1.72
Rot. Bonds2

About bis(2,2,3,3,3-pentafluoropropanoic acid);piperazine

bis(2,2,3,3,3-pentafluoropropanoic acid);piperazine (PubChem CID 131849469) has the molecular formula C10H12F10N2O4 and a molecular weight of 414.20 g/mol. Its IUPAC name is bis(2,2,3,3,3-pentafluoropropanoic acid);piperazine.

Molecular Properties

Compound Namebis(2,2,3,3,3-pentafluoropropanoic acid);piperazine
PubChem CID131849469
Molecular FormulaC10H12F10N2O4
Molecular Weight414.20 g/mol
Exact Mass414.06
IUPAC Namebis(2,2,3,3,3-pentafluoropropanoic acid);piperazine
SMILESC1CNCCN1.O=C(O)C(F)(F)C(F)(F)F.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H10N2.2C3HF5O2/c1-2-6-4-3-5-1;2*4-2(5,1(9)10)3(6,7)8/h5-6H,1-4H2;2*(H,9,10)
InChIKeyWEXDJQCTJXMIKP-UHFFFAOYSA-N
XLogP1.72
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.20
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 71650614
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CID 161395602
CID 161395602
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CID 56840277
azepane;2,2,2-trifluoroacetic acid;hydrate
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chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
CID 87460602
chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 170845067
2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
CID 86076050
1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid
CID 174560445
2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid
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2,2,3,4,4,4-hexafluoro-3-iodobutanoic acid
CID 19898069

Frequently Asked Questions

What is the IUPAC name of bis(2,2,3,3,3-pentafluoropropanoic acid);piperazine?
The IUPAC name of bis(2,2,3,3,3-pentafluoropropanoic acid);piperazine (CID 131849469) is bis(2,2,3,3,3-pentafluoropropanoic acid);piperazine.
What is the SMILES notation for bis(2,2,3,3,3-pentafluoropropanoic acid);piperazine?
The canonical SMILES for bis(2,2,3,3,3-pentafluoropropanoic acid);piperazine is C1CNCCN1.O=C(O)C(F)(F)C(F)(F)F.O=C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of bis(2,2,3,3,3-pentafluoropropanoic acid);piperazine?
The InChIKey is WEXDJQCTJXMIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.2C3HF5O2/c1-2-6-4-3-5-1;2*4-2(5,1(9)10)3(6,7)8/h5-6H,1-4H2;2*(H,9,10).
What are the key properties of bis(2,2,3,3,3-pentafluoropropanoic acid);piperazine?
bis(2,2,3,3,3-pentafluoropropanoic acid);piperazine has a molecular weight of 414.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,3,3-pentafluoropropanoic acid);piperazine is sourced from PubChem (CID 131849469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).