3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole

C12H16F2N2 — CID 71204297

IUPAC3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole
SMILESCC(C)n1nc(C(F)F)c2c1C1CC1CC2
InChIInChI=1S/C12H16F2N2/c1-6(2)16-11-8(10(15-16)12(13)14)4-3-7-5-9(7)11/h6-7,9,12H,3-5H2,1-2H3
InChIKeySVRSVKPEKKYBHK-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.45
Rot. Bonds2

About 3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole

3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole (PubChem CID 71204297) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole
PubChem CID71204297
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole
SMILESCC(C)n1nc(C(F)F)c2c1C1CC1CC2
InChIInChI=1S/C12H16F2N2/c1-6(2)16-11-8(10(15-16)12(13)14)4-3-7-5-9(7)11/h6-7,9,12H,3-5H2,1-2H3
InChIKeySVRSVKPEKKYBHK-UHFFFAOYSA-N
XLogP3.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole?
The IUPAC name of 3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole (CID 71204297) is 3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole.
What is the SMILES notation for 3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole?
The canonical SMILES for 3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole is CC(C)n1nc(C(F)F)c2c1C1CC1CC2.
What is the InChIKey of 3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole?
The InChIKey is SVRSVKPEKKYBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-6(2)16-11-8(10(15-16)12(13)14)4-3-7-5-9(7)11/h6-7,9,12H,3-5H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole?
3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole has a molecular weight of 226.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole is sourced from PubChem (CID 71204297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).