1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese

C16H6F15MnN6- — CID 87432432

IUPAC1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese
SMILESFC(F)(F)C(F)(F)c1ccn([C-](n2ccc(C(F)(F)C(F)(F)F)n2)n2ccc(C(F)(F)C(F)(F)F)n2)n1.[Mn]
InChIInChI=1S/C16H6F15N6.Mn/c17-11(18,14(23,24)25)7-1-4-35(32-7)10(36-5-2-8(33-36)12(19,20)15(26,27)28)37-6-3-9(34-37)13(21,22)16(29,30)31;/h1-6H;/q-1;
InChIKeyKZKJYUNPGKXTBZ-UHFFFAOYSA-N
MW622.17 g/mol
LogP5.63
Rot. Bonds6

About 1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese

1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese (PubChem CID 87432432) has the molecular formula C16H6F15MnN6- and a molecular weight of 622.17 g/mol. Its IUPAC name is 1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese.

Molecular Properties

Compound Name1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese
PubChem CID87432432
Molecular FormulaC16H6F15MnN6-
Molecular Weight622.17 g/mol
Exact Mass621.98
IUPAC Name1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese
SMILESFC(F)(F)C(F)(F)c1ccn([C-](n2ccc(C(F)(F)C(F)(F)F)n2)n2ccc(C(F)(F)C(F)(F)F)n2)n1.[Mn]
InChIInChI=1S/C16H6F15N6.Mn/c17-11(18,14(23,24)25)7-1-4-35(32-7)10(36-5-2-8(33-36)12(19,20)15(26,27)28)37-6-3-9(34-37)13(21,22)16(29,30)31;/h1-6H;/q-1;
InChIKeyKZKJYUNPGKXTBZ-UHFFFAOYSA-N
XLogP5.63
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.17
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese?
The IUPAC name of 1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese (CID 87432432) is 1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese.
What is the SMILES notation for 1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese?
The canonical SMILES for 1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese is FC(F)(F)C(F)(F)c1ccn([C-](n2ccc(C(F)(F)C(F)(F)F)n2)n2ccc(C(F)(F)C(F)(F)F)n2)n1.[Mn].
What is the InChIKey of 1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese?
The InChIKey is KZKJYUNPGKXTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6F15N6.Mn/c17-11(18,14(23,24)25)7-1-4-35(32-7)10(36-5-2-8(33-36)12(19,20)15(26,27)28)37-6-3-9(34-37)13(21,22)16(29,30)31;/h1-6H;/q-1;.
What are the key properties of 1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese?
1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese has a molecular weight of 622.17 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrazole;manganese is sourced from PubChem (CID 87432432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).