[(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine

C9H15FN2 — CID 169184258

IUPAC[(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine
SMILESNCC12CCCN1C/C(=C/F)C2
InChIInChI=1S/C9H15FN2/c10-5-8-4-9(7-11)2-1-3-12(9)6-8/h5H,1-4,6-7,11H2/b8-5+
InChIKeyHGTSVGWPAGEBLC-VMPITWQZSA-N
MW170.23 g/mol
LogP1.04
Rot. Bonds1

About [(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine

[(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine (PubChem CID 169184258) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is [(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine.

Molecular Properties

Compound Name[(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine
PubChem CID169184258
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name[(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine
SMILESNCC12CCCN1C/C(=C/F)C2
InChIInChI=1S/C9H15FN2/c10-5-8-4-9(7-11)2-1-3-12(9)6-8/h5H,1-4,6-7,11H2/b8-5+
InChIKeyHGTSVGWPAGEBLC-VMPITWQZSA-N
XLogP1.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine
CID 123476203
(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 162730761
(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
(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
(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
(6Z)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 169184151
(6E)-6-(fluoromethylidene)-8-(nitrosomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 170053135
(6E)-6-(fluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 170097539
(6Z)-8-ethyl-6-(fluoromethylidene)-4-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-4-ium
CID 170727008

Frequently Asked Questions

What is the IUPAC name of [(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine?
The IUPAC name of [(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine (CID 169184258) is [(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine.
What is the SMILES notation for [(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine?
The canonical SMILES for [(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine is NCC12CCCN1C/C(=C/F)C2.
What is the InChIKey of [(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine?
The InChIKey is HGTSVGWPAGEBLC-VMPITWQZSA-N. The full InChI is InChI=1S/C9H15FN2/c10-5-8-4-9(7-11)2-1-3-12(9)6-8/h5H,1-4,6-7,11H2/b8-5+.
What are the key properties of [(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine?
[(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine has a molecular weight of 170.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanamine is sourced from PubChem (CID 169184258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).