8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine

C13H24FN — CID 160649558

IUPAC8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)(C)CC12CCCN1CC(C)(F)C2
InChIInChI=1S/C13H24FN/c1-11(2,3)8-13-6-5-7-15(13)10-12(4,14)9-13/h5-10H2,1-4H3
InChIKeyUTWCOBYBBMYVSB-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.39
Rot. Bonds1

About 8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine

8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 160649558) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID160649558
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)(C)CC12CCCN1CC(C)(F)C2
InChIInChI=1S/C13H24FN/c1-11(2,3)8-13-6-5-7-15(13)10-12(4,14)9-13/h5-10H2,1-4H3
InChIKeyUTWCOBYBBMYVSB-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7a-Methyl-hexahydro-pyrrolizine
CID 13759523
(3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 10773056
3-t-Butylpyrrolizidine
CID 13538978
Dimethylpyrrolizidine
CID 89262386
t-Butylpyrrolizidine
CID 89367893
(3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 134980453
(8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 156645435
(2S,8S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256336
(2R,8S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256350
(2S,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256368
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
8-Ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256468

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 160649558) is 8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine is CC(C)(C)CC12CCCN1CC(C)(F)C2.
What is the InChIKey of 8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is UTWCOBYBBMYVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-11(2,3)8-13-6-5-7-15(13)10-12(4,14)9-13/h5-10H2,1-4H3.
What are the key properties of 8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 213.34 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 160649558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).