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

C11H18FN — CID 166984256

IUPAC2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C1CN2CC(F)CC2(C(C)C)C1
InChIInChI=1S/C11H18FN/c1-8(2)11-4-9(3)6-13(11)7-10(12)5-11/h8,10H,3-7H2,1-2H3
InChIKeyRLJVQXBANOXMGC-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.38
Rot. Bonds1

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

2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 166984256) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID166984256
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C1CN2CC(F)CC2(C(C)C)C1
InChIInChI=1S/C11H18FN/c1-8(2)11-4-9(3)6-13(11)7-10(12)5-11/h8,10H,3-7H2,1-2H3
InChIKeyRLJVQXBANOXMGC-UHFFFAOYSA-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'}

Analyze 2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine
CID 427384
1-Fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 162730748
(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 162730761
(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614751
6-(difluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614752
(6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163619300
6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163623853
(6E)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977864
2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977865
(6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977871
(6Z,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875903
(6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875923

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 166984256) is 2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine is C=C1CN2CC(F)CC2(C(C)C)C1.
What is the InChIKey of 2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is RLJVQXBANOXMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-8(2)11-4-9(3)6-13(11)7-10(12)5-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-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 2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 166984256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).