3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole

C12H16F2N2O2 — CID 167439978

IUPAC3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole
SMILESFC(F)c1ccn(C2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C12H16F2N2O2/c13-11(14)10-3-6-16(15-10)9-1-4-12(5-2-9)17-7-8-18-12/h3,6,9,11H,1-2,4-5,7-8H2
InChIKeyFLANVRHMHBJGJN-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.68
Rot. Bonds2

About 3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole

3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole (PubChem CID 167439978) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole
PubChem CID167439978
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole
SMILESFC(F)c1ccn(C2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C12H16F2N2O2/c13-11(14)10-3-6-16(15-10)9-1-4-12(5-2-9)17-7-8-18-12/h3,6,9,11H,1-2,4-5,7-8H2
InChIKeyFLANVRHMHBJGJN-UHFFFAOYSA-N
XLogP2.68
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole?
The IUPAC name of 3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole (CID 167439978) is 3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole is FC(F)c1ccn(C2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole?
The InChIKey is FLANVRHMHBJGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c13-11(14)10-3-6-16(15-10)9-1-4-12(5-2-9)17-7-8-18-12/h3,6,9,11H,1-2,4-5,7-8H2.
What are the key properties of 3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole?
3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole has a molecular weight of 258.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole is sourced from PubChem (CID 167439978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).