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

C9H14FNO — CID 169181975

IUPAC[(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
SMILESOC[C@]12CCCN1C/C(=C/F)C2
InChIInChI=1S/C9H14FNO/c10-5-8-4-9(7-12)2-1-3-11(9)6-8/h5,12H,1-4,6-7H2/b8-5+/t9-/m1/s1
InChIKeyGZEVXTHNYVCIIO-WHXYTISESA-N
MW171.21 g/mol
LogP1.07
Rot. Bonds1

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

[(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol (PubChem CID 169181975) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is [(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
PubChem CID169181975
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name[(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
SMILESOC[C@]12CCCN1C/C(=C/F)C2
InChIInChI=1S/C9H14FNO/c10-5-8-4-9(7-12)2-1-3-11(9)6-8/h5,12H,1-4,6-7H2/b8-5+/t9-/m1/s1
InChIKeyGZEVXTHNYVCIIO-WHXYTISESA-N
XLogP1.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

((2R,7aS)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118109097
((2S,7AR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118109098
[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 118109100
((2S,7AS)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118109101
(2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118121031
(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 123968379
((2R,7aR)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 146014107
((2R)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 154644291
[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 155487247
(E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 162730762
(1-Fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
CID 163686021
(2-fluoro-6-methylene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 163686023

Frequently Asked Questions

What is the IUPAC name of [(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The IUPAC name of [(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol (CID 169181975) is [(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol.
What is the SMILES notation for [(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The canonical SMILES for [(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol is OC[C@]12CCCN1C/C(=C/F)C2.
What is the InChIKey of [(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The InChIKey is GZEVXTHNYVCIIO-WHXYTISESA-N. The full InChI is InChI=1S/C9H14FNO/c10-5-8-4-9(7-12)2-1-3-11(9)6-8/h5,12H,1-4,6-7H2/b8-5+/t9-/m1/s1.
What are the key properties of [(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
[(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol has a molecular weight of 171.21 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E,8R)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol is sourced from PubChem (CID 169181975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).