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

C10H18FN — CID 163809350

IUPAC(1S)-1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)C12CCCN1CC[C@@H]2F
InChIInChI=1S/C10H18FN/c1-8(2)10-5-3-6-12(10)7-4-9(10)11/h8-9H,3-7H2,1-2H3/t9-,10?/m0/s1
InChIKeyJQWZDCVFPLRULJ-RGURZIINSA-N
MW171.26 g/mol
LogP2.22
Rot. Bonds1

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

(1S)-1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 163809350) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (1S)-1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(1S)-1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID163809350
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(1S)-1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)C12CCCN1CC[C@@H]2F
InChIInChI=1S/C10H18FN/c1-8(2)10-5-3-6-12(10)7-4-9(10)11/h8-9H,3-7H2,1-2H3/t9-,10?/m0/s1
InChIKeyJQWZDCVFPLRULJ-RGURZIINSA-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 (1S)-1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (1S)-1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine (CID 163809350) is (1S)-1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (1S)-1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (1S)-1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)C12CCCN1CC[C@@H]2F.
What is the InChIKey of (1S)-1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is JQWZDCVFPLRULJ-RGURZIINSA-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/t9-,10?/m0/s1.
What are the key properties of (1S)-1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
(1S)-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 (1S)-1-fluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 163809350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).