(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine

C10H16FN — CID 162730761

IUPAC(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C1CN2CC(F)C[C@@]2(CC)C1
InChIInChI=1S/C10H16FN/c1-3-10-4-8(2)6-12(10)7-9(11)5-10/h9H,2-7H2,1H3/t9?,10-/m1/s1
InChIKeyZASBBBGKDMMVRP-QVDQXJPCSA-N
MW169.24 g/mol
LogP2.14
Rot. Bonds1

About (8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine

(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 162730761) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID162730761
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C1CN2CC(F)C[C@@]2(CC)C1
InChIInChI=1S/C10H16FN/c1-3-10-4-8(2)6-12(10)7-9(11)5-10/h9H,2-7H2,1H3/t9?,10-/m1/s1
InChIKeyZASBBBGKDMMVRP-QVDQXJPCSA-N
XLogP2.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.14
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 (8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 162730761) is (8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine is C=C1CN2CC(F)C[C@@]2(CC)C1.
What is the InChIKey of (8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is ZASBBBGKDMMVRP-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H16FN/c1-3-10-4-8(2)6-12(10)7-9(11)5-10/h9H,2-7H2,1H3/t9?,10-/m1/s1.
What are the key properties of (8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine?
(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 169.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 162730761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).