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

C12H20FN — CID 163977865

IUPAC2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C1CN2CC(F)CC2(CC(C)C)C1
InChIInChI=1S/C12H20FN/c1-9(2)4-12-5-10(3)7-14(12)8-11(13)6-12/h9,11H,3-8H2,1-2H3
InChIKeyMGZHLKVOAWBBRO-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.78
Rot. Bonds2

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

2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 163977865) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID163977865
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C1CN2CC(F)CC2(CC(C)C)C1
InChIInChI=1S/C12H20FN/c1-9(2)4-12-5-10(3)7-14(12)8-11(13)6-12/h9,11H,3-8H2,1-2H3
InChIKeyMGZHLKVOAWBBRO-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine
CID 427384
(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine
CID 123476203
8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 137419728
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
(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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 163977865) is 2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is C=C1CN2CC(F)CC2(CC(C)C)C1.
What is the InChIKey of 2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is MGZHLKVOAWBBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-9(2)4-12-5-10(3)7-14(12)8-11(13)6-12/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 197.30 g/mol, XLogP of 2.78, 2 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-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 163977865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).