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

C13H24FN — CID 176778512

IUPAC8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)(C)CCC12CCCN1CC(F)C2
InChIInChI=1S/C13H24FN/c1-12(2,3)6-7-13-5-4-8-15(13)10-11(14)9-13/h11H,4-10H2,1-3H3
InChIKeyQUCGKDQAZYJNTH-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.39
Rot. Bonds2

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

8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 176778512) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID176778512
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)(C)CCC12CCCN1CC(F)C2
InChIInChI=1S/C13H24FN/c1-12(2,3)6-7-13-5-4-8-15(13)10-11(14)9-13/h11H,4-10H2,1-3H3
InChIKeyQUCGKDQAZYJNTH-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (CID 176778512) is 8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)(C)CCC12CCCN1CC(F)C2.
What is the InChIKey of 8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is QUCGKDQAZYJNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-12(2,3)6-7-13-5-4-8-15(13)10-11(14)9-13/h11H,4-10H2,1-3H3.
What are the key properties of 8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 213.34 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 176778512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).