8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]

C13H20F3N — CID 176800788

IUPAC8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
SMILESCC(C)(C)C12CC(F)CN1CC1(CC1(F)F)C2
InChIInChI=1S/C13H20F3N/c1-10(2,3)12-4-9(14)5-17(12)8-11(6-12)7-13(11,15)16/h9H,4-8H2,1-3H3
InChIKeyGQWRTAVJXCNNCI-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.24
Rot. Bonds

About 8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]

8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] (PubChem CID 176800788) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is 8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane].

Molecular Properties

Compound Name8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
PubChem CID176800788
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Name8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
SMILESCC(C)(C)C12CC(F)CN1CC1(CC1(F)F)C2
InChIInChI=1S/C13H20F3N/c1-10(2,3)12-4-9(14)5-17(12)8-11(6-12)7-13(11,15)16/h9H,4-8H2,1-3H3
InChIKeyGQWRTAVJXCNNCI-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] 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 8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The IUPAC name of 8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] (CID 176800788) is 8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane].
What is the SMILES notation for 8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The canonical SMILES for 8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] is CC(C)(C)C12CC(F)CN1CC1(CC1(F)F)C2.
What is the InChIKey of 8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The InChIKey is GQWRTAVJXCNNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N/c1-10(2,3)12-4-9(14)5-17(12)8-11(6-12)7-13(11,15)16/h9H,4-8H2,1-3H3.
What are the key properties of 8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] has a molecular weight of 247.30 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] is sourced from PubChem (CID 176800788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).