8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine

C12H22FN — CID 164735301

IUPAC8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)(C)CC12CCCN1CC(F)C2
InChIInChI=1S/C12H22FN/c1-11(2,3)9-12-5-4-6-14(12)8-10(13)7-12/h10H,4-9H2,1-3H3
InChIKeyLUGOJOFFDNHFNX-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.00
Rot. Bonds1

About 8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine

8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164735301) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164735301
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)(C)CC12CCCN1CC(F)C2
InChIInChI=1S/C12H22FN/c1-11(2,3)9-12-5-4-6-14(12)8-10(13)7-12/h10H,4-9H2,1-3H3
InChIKeyLUGOJOFFDNHFNX-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 160649558
(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

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (CID 164735301) is 8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)(C)CC12CCCN1CC(F)C2.
What is the InChIKey of 8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is LUGOJOFFDNHFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-11(2,3)9-12-5-4-6-14(12)8-10(13)7-12/h10H,4-9H2,1-3H3.
What are the key properties of 8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
8-(2,2-dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 199.31 g/mol, XLogP of 3.00, 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)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164735301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).