(4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C7H7F3N2O2S — CID 142577347

IUPAC(4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESO=S(=O)(c1cc2n(n1)CC[C@H]2F)C(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-4-1-2-12-5(4)3-6(11-12)15(13,14)7(9)10/h3-4,7H,1-2H2/t4-/m1/s1
InChIKeyLOIZKHUJHQAIMR-SCSAIBSYSA-N
MW240.21 g/mol
LogP1.29
Rot. Bonds2

About (4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

(4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 142577347) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is (4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name(4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID142577347
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name(4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESO=S(=O)(c1cc2n(n1)CC[C@H]2F)C(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-4-1-2-12-5(4)3-6(11-12)15(13,14)7(9)10/h3-4,7H,1-2H2/t4-/m1/s1
InChIKeyLOIZKHUJHQAIMR-SCSAIBSYSA-N
XLogP1.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of (4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 142577347) is (4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for (4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for (4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is O=S(=O)(c1cc2n(n1)CC[C@H]2F)C(F)F.
What is the InChIKey of (4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is LOIZKHUJHQAIMR-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-4-1-2-12-5(4)3-6(11-12)15(13,14)7(9)10/h3-4,7H,1-2H2/t4-/m1/s1.
What are the key properties of (4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
(4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 240.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(difluoromethylsulfonyl)-4-fluoro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 142577347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).