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SLRGODHQDOHRKU-UHFFFAOYSA-N

C6H8F4N2 — CID 135267363

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole
SMILESCN1NC(C(F)F)=CC1C(F)F
InChIInChI=1S/C6H8F4N2/c1-12-4(6(9)10)2-3(11-12)5(7)8/h2,4-6,11H,1H3
InChIKeySLRGODHQDOHRKU-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.22
Rot. Bonds2

About SLRGODHQDOHRKU-UHFFFAOYSA-N

SLRGODHQDOHRKU-UHFFFAOYSA-N (PubChem CID 135267363) has the molecular formula C6H8F4N2 and a molecular weight of 184.14 g/mol. Its IUPAC name is 3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole.

Molecular Properties

Compound NameSLRGODHQDOHRKU-UHFFFAOYSA-N
PubChem CID135267363
Molecular FormulaC6H8F4N2
Molecular Weight184.14 g/mol
Exact Mass184.06
IUPAC Name3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole
SMILESCN1NC(C(F)F)=CC1C(F)F
InChIInChI=1S/C6H8F4N2/c1-12-4(6(9)10)2-3(11-12)5(7)8/h2,4-6,11H,1H3
InChIKeySLRGODHQDOHRKU-UHFFFAOYSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of SLRGODHQDOHRKU-UHFFFAOYSA-N?
The IUPAC name of SLRGODHQDOHRKU-UHFFFAOYSA-N (CID 135267363) is 3,5-bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole.
What is the SMILES notation for SLRGODHQDOHRKU-UHFFFAOYSA-N?
The canonical SMILES for SLRGODHQDOHRKU-UHFFFAOYSA-N is CN1NC(C(F)F)=CC1C(F)F.
What is the InChIKey of SLRGODHQDOHRKU-UHFFFAOYSA-N?
The InChIKey is SLRGODHQDOHRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4N2/c1-12-4(6(9)10)2-3(11-12)5(7)8/h2,4-6,11H,1H3.
What are the key properties of SLRGODHQDOHRKU-UHFFFAOYSA-N?
SLRGODHQDOHRKU-UHFFFAOYSA-N has a molecular weight of 184.14 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for SLRGODHQDOHRKU-UHFFFAOYSA-N is sourced from PubChem (CID 135267363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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