2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol

C6H7AlF2N2O — CID 162602742

IUPAC2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol
SMILESOC1CC(F)(F)c2nn([AlH2])cc21
InChIInChI=1S/C6H5F2N2O.Al.2H/c7-6(8)1-4(11)3-2-9-10-5(3)6;;;/h2,4,11H,1H2;;;/q-1;+1;;
InChIKeyPRORUDACDQJSKA-UHFFFAOYSA-N
MW188.11 g/mol
LogP-0.19
Rot. Bonds

About 2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol

2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol (PubChem CID 162602742) has the molecular formula C6H7AlF2N2O and a molecular weight of 188.11 g/mol. Its IUPAC name is 2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol.

Molecular Properties

Compound Name2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol
PubChem CID162602742
Molecular FormulaC6H7AlF2N2O
Molecular Weight188.11 g/mol
Exact Mass188.03
IUPAC Name2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol
SMILESOC1CC(F)(F)c2nn([AlH2])cc21
InChIInChI=1S/C6H5F2N2O.Al.2H/c7-6(8)1-4(11)3-2-9-10-5(3)6;;;/h2,4,11H,1H2;;;/q-1;+1;;
InChIKeyPRORUDACDQJSKA-UHFFFAOYSA-N
XLogP-0.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol?
The IUPAC name of 2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol (CID 162602742) is 2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol.
What is the SMILES notation for 2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol?
The canonical SMILES for 2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol is OC1CC(F)(F)c2nn([AlH2])cc21.
What is the InChIKey of 2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol?
The InChIKey is PRORUDACDQJSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N2O.Al.2H/c7-6(8)1-4(11)3-2-9-10-5(3)6;;;/h2,4,11H,1H2;;;/q-1;+1;;.
What are the key properties of 2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol?
2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol has a molecular weight of 188.11 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-alumanyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-4-ol is sourced from PubChem (CID 162602742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).