(1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine

C11H18FN — CID 168881441

IUPAC(1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=C(C)C[C@]12CCCN1CC[C@@H]2F
InChIInChI=1S/C11H18FN/c1-9(2)8-11-5-3-6-13(11)7-4-10(11)12/h10H,1,3-8H2,2H3/t10-,11-/m0/s1
InChIKeyFDRCTEAXSLRQDT-QWRGUYRKSA-N
MW183.27 g/mol
LogP2.53
Rot. Bonds2

About (1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine

(1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 168881441) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID168881441
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=C(C)C[C@]12CCCN1CC[C@@H]2F
InChIInChI=1S/C11H18FN/c1-9(2)8-11-5-3-6-13(11)7-4-10(11)12/h10H,1,3-8H2,2H3/t10-,11-/m0/s1
InChIKeyFDRCTEAXSLRQDT-QWRGUYRKSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 168881441) is (1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine is C=C(C)C[C@]12CCCN1CC[C@@H]2F.
What is the InChIKey of (1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is FDRCTEAXSLRQDT-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H18FN/c1-9(2)8-11-5-3-6-13(11)7-4-10(11)12/h10H,1,3-8H2,2H3/t10-,11-/m0/s1.
What are the key properties of (1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine?
(1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 183.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 168881441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).