1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine

C10H18FN — CID 163614745

IUPAC1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)C12CCCN1CCC2F
InChIInChI=1S/C10H18FN/c1-8(2)10-5-3-6-12(10)7-4-9(10)11/h8-9H,3-7H2,1-2H3
InChIKeyJQWZDCVFPLRULJ-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.22
Rot. Bonds1

About 1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine

1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 163614745) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID163614745
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)C12CCCN1CCC2F
InChIInChI=1S/C10H18FN/c1-8(2)10-5-3-6-12(10)7-4-9(10)11/h8-9H,3-7H2,1-2H3
InChIKeyJQWZDCVFPLRULJ-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine (CID 163614745) is 1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)C12CCCN1CCC2F.
What is the InChIKey of 1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is JQWZDCVFPLRULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)10-5-3-6-12(10)7-4-9(10)11/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 171.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 163614745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).