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

C11H18FN — CID 176776378

IUPAC(2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine
SMILESC=C1CCN2C[C@H](F)C[C@]12C(C)C
InChIInChI=1S/C11H18FN/c1-8(2)11-6-10(12)7-13(11)5-4-9(11)3/h8,10H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKeyFELHYELBHGZZCU-MNOVXSKESA-N
MW183.27 g/mol
LogP2.38
Rot. Bonds1

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

(2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine (PubChem CID 176776378) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine
PubChem CID176776378
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine
SMILESC=C1CCN2C[C@H](F)C[C@]12C(C)C
InChIInChI=1S/C11H18FN/c1-8(2)11-6-10(12)7-13(11)5-4-9(11)3/h8,10H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKeyFELHYELBHGZZCU-MNOVXSKESA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.38
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 (2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine?
The IUPAC name of (2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine (CID 176776378) is (2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine is C=C1CCN2C[C@H](F)C[C@]12C(C)C.
What is the InChIKey of (2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine?
The InChIKey is FELHYELBHGZZCU-MNOVXSKESA-N. The full InChI is InChI=1S/C11H18FN/c1-8(2)11-6-10(12)7-13(11)5-4-9(11)3/h8,10H,3-7H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine?
(2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine has a molecular weight of 183.27 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 176776378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).