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

C11H16F3N — CID 165123955

IUPAC8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
SMILESCCC12CC(F)CN1CC1(C2)CC1(F)F
InChIInChI=1S/C11H16F3N/c1-2-10-3-8(12)4-15(10)7-9(5-10)6-11(9,13)14/h8H,2-7H2,1H3
InChIKeyDICPMSOQORUYJK-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.61
Rot. Bonds1

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

8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] (PubChem CID 165123955) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane].

Molecular Properties

Compound Name8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
PubChem CID165123955
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
SMILESCCC12CC(F)CN1CC1(C2)CC1(F)F
InChIInChI=1S/C11H16F3N/c1-2-10-3-8(12)4-15(10)7-9(5-10)6-11(9,13)14/h8H,2-7H2,1H3
InChIKeyDICPMSOQORUYJK-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] with MolForge

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Related Compounds

[(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol
CID 171397520
8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
CID 176800788
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
CID 170956574
benzene;ethane;(8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;fluoromethane
CID 177213011
(2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 155487742
[(2R,8R)-2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 174267695
(2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 176776231
(2R,3aS,4aS,8aS)-3a-ethyl-2-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydropyrrolo[1,2-a]indole
CID 167301369
(6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-1',1'-difluorospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]
CID 176776468
ethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine
CID 176951733
ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177010029

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The IUPAC name of 8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] (CID 165123955) is 8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane].
What is the SMILES notation for 8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The canonical SMILES for 8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] is CCC12CC(F)CN1CC1(C2)CC1(F)F.
What is the InChIKey of 8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The InChIKey is DICPMSOQORUYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c1-2-10-3-8(12)4-15(10)7-9(5-10)6-11(9,13)14/h8H,2-7H2,1H3.
What are the key properties of 8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] has a molecular weight of 219.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] is sourced from PubChem (CID 165123955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).