[(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol

C10H16FNO — CID 171614158

IUPAC[(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
SMILESC=C1CN2[C@H](C)[C@H](F)C[C@@]2(CO)C1
InChIInChI=1S/C10H16FNO/c1-7-3-10(6-13)4-9(11)8(2)12(10)5-7/h8-9,13H,1,3-6H2,2H3/t8-,9-,10-/m1/s1
InChIKeyIZAIATVFLAQZIJ-OPRDCNLKSA-N
MW185.24 g/mol
LogP1.11
Rot. Bonds1

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

[(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol (PubChem CID 171614158) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is [(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
PubChem CID171614158
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name[(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
SMILESC=C1CN2[C@H](C)[C@H](F)C[C@@]2(CO)C1
InChIInChI=1S/C10H16FNO/c1-7-3-10(6-13)4-9(11)8(2)12(10)5-7/h8-9,13H,1,3-6H2,2H3/t8-,9-,10-/m1/s1
InChIKeyIZAIATVFLAQZIJ-OPRDCNLKSA-N
XLogP1.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The IUPAC name of [(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol (CID 171614158) is [(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol.
What is the SMILES notation for [(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The canonical SMILES for [(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol is C=C1CN2[C@H](C)[C@H](F)C[C@@]2(CO)C1.
What is the InChIKey of [(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The InChIKey is IZAIATVFLAQZIJ-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H16FNO/c1-7-3-10(6-13)4-9(11)8(2)12(10)5-7/h8-9,13H,1,3-6H2,2H3/t8-,9-,10-/m1/s1.
What are the key properties of [(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
[(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol has a molecular weight of 185.24 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,8R)-2-fluoro-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol is sourced from PubChem (CID 171614158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).