5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole

C7H5F5N2 — CID 147109951

IUPAC5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole
SMILESFC1(F)Cc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C7H5F5N2/c8-6(9)1-3-4(2-6)13-14-5(3)7(10,11)12/h1-2H2,(H,13,14)
InChIKeyBMHSGUHLYREUIW-UHFFFAOYSA-N
MW212.12 g/mol
LogP2.16
Rot. Bonds

About 5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole

5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole (PubChem CID 147109951) has the molecular formula C7H5F5N2 and a molecular weight of 212.12 g/mol. Its IUPAC name is 5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole
PubChem CID147109951
Molecular FormulaC7H5F5N2
Molecular Weight212.12 g/mol
Exact Mass212.04
IUPAC Name5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole
SMILESFC1(F)Cc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C7H5F5N2/c8-6(9)1-3-4(2-6)13-14-5(3)7(10,11)12/h1-2H2,(H,13,14)
InChIKeyBMHSGUHLYREUIW-UHFFFAOYSA-N
XLogP2.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole?
The IUPAC name of 5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole (CID 147109951) is 5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole.
What is the SMILES notation for 5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole?
The canonical SMILES for 5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole is FC1(F)Cc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of 5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole?
The InChIKey is BMHSGUHLYREUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2/c8-6(9)1-3-4(2-6)13-14-5(3)7(10,11)12/h1-2H2,(H,13,14).
What are the key properties of 5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole?
5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole has a molecular weight of 212.12 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[d]pyrazole is sourced from PubChem (CID 147109951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).