1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole

C14H16F2N2O2 — CID 166283044

IUPAC1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole
SMILESFC1(F)CC1n1ccc(C2=CCC3(CC2)OCCO3)n1
InChIInChI=1S/C14H16F2N2O2/c15-14(16)9-12(14)18-6-3-11(17-18)10-1-4-13(5-2-10)19-7-8-20-13/h1,3,6,12H,2,4-5,7-9H2
InChIKeyBVLXCISDULBTOC-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.77
Rot. Bonds2

About 1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole

1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole (PubChem CID 166283044) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole.

Molecular Properties

Compound Name1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole
PubChem CID166283044
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole
SMILESFC1(F)CC1n1ccc(C2=CCC3(CC2)OCCO3)n1
InChIInChI=1S/C14H16F2N2O2/c15-14(16)9-12(14)18-6-3-11(17-18)10-1-4-13(5-2-10)19-7-8-20-13/h1,3,6,12H,2,4-5,7-9H2
InChIKeyBVLXCISDULBTOC-UHFFFAOYSA-N
XLogP2.77
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole?
The IUPAC name of 1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole (CID 166283044) is 1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole.
What is the SMILES notation for 1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole?
The canonical SMILES for 1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole is FC1(F)CC1n1ccc(C2=CCC3(CC2)OCCO3)n1.
What is the InChIKey of 1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole?
The InChIKey is BVLXCISDULBTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c15-14(16)9-12(14)18-6-3-11(17-18)10-1-4-13(5-2-10)19-7-8-20-13/h1,3,6,12H,2,4-5,7-9H2.
What are the key properties of 1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole?
1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole has a molecular weight of 282.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole is sourced from PubChem (CID 166283044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).