3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole

C11H14F4N2 — CID 90162116

IUPAC3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1CC(F)(F)C2
InChIInChI=1S/C11H14F4N2/c1-6(2)17-8-5-11(14,15)4-7(8)9(16-17)10(3,12)13/h6H,4-5H2,1-3H3
InChIKeyQGZUGDVZYBYOKQ-UHFFFAOYSA-N
MW250.24 g/mol
LogP3.31
Rot. Bonds2

About 3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole

3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole (PubChem CID 90162116) has the molecular formula C11H14F4N2 and a molecular weight of 250.24 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole
PubChem CID90162116
Molecular FormulaC11H14F4N2
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1CC(F)(F)C2
InChIInChI=1S/C11H14F4N2/c1-6(2)17-8-5-11(14,15)4-7(8)9(16-17)10(3,12)13/h6H,4-5H2,1-3H3
InChIKeyQGZUGDVZYBYOKQ-UHFFFAOYSA-N
XLogP3.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole (CID 90162116) is 3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole is CC(C)n1nc(C(C)(F)F)c2c1CC(F)(F)C2.
What is the InChIKey of 3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole?
The InChIKey is QGZUGDVZYBYOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2/c1-6(2)17-8-5-11(14,15)4-7(8)9(16-17)10(3,12)13/h6H,4-5H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole?
3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole has a molecular weight of 250.24 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazole is sourced from PubChem (CID 90162116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).