(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine

C11H19FN2 — CID 123476203

IUPAC(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine
SMILESC=C(C)C1(F)CN2CCCC2(CN)C1
InChIInChI=1S/C11H19FN2/c1-9(2)11(12)6-10(7-13)4-3-5-14(10)8-11/h1,3-8,13H2,2H3
InChIKeyTUODEQCZCDRWFC-UHFFFAOYSA-N
MW198.28 g/mol
LogP1.47
Rot. Bonds2

About (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine

(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine (PubChem CID 123476203) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine
PubChem CID123476203
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine
SMILESC=C(C)C1(F)CN2CCCC2(CN)C1
InChIInChI=1S/C11H19FN2/c1-9(2)11(12)6-10(7-13)4-3-5-14(10)8-11/h1,3-8,13H2,2H3
InChIKeyTUODEQCZCDRWFC-UHFFFAOYSA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(azidomethyl)-6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 137419728
(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 162730761
(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
(6Z)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 166984257
(6Z,8R)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 166984321
(1S,8S)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168881441
(1S,8R)-1-fluoro-8-(2-methylprop-2-enyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168881478
(6Z)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 169182615
(6E)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 169183813
[(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine
CID 169184258
(6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 170073257

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine?
The IUPAC name of (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine (CID 123476203) is (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine.
What is the SMILES notation for (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine?
The canonical SMILES for (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine is C=C(C)C1(F)CN2CCCC2(CN)C1.
What is the InChIKey of (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine?
The InChIKey is TUODEQCZCDRWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2/c1-9(2)11(12)6-10(7-13)4-3-5-14(10)8-11/h1,3-8,13H2,2H3.
What are the key properties of (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine?
(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine has a molecular weight of 198.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine is sourced from PubChem (CID 123476203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).