(2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol

C8H12FNO — CID 166162578

IUPAC(2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol
SMILESOCC12C=CCN1CC(F)C2
InChIInChI=1S/C8H12FNO/c9-7-4-8(6-11)2-1-3-10(8)5-7/h1-2,7,11H,3-6H2
InChIKeyPWFNNKKGAPEXQB-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.33
Rot. Bonds1

About (2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol

(2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol (PubChem CID 166162578) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol
PubChem CID166162578
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol
SMILESOCC12C=CCN1CC(F)C2
InChIInChI=1S/C8H12FNO/c9-7-4-8(6-11)2-1-3-10(8)5-7/h1-2,7,11H,3-6H2
InChIKeyPWFNNKKGAPEXQB-UHFFFAOYSA-N
XLogP0.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.33
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 (2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol?
The IUPAC name of (2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol (CID 166162578) is (2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol.
What is the SMILES notation for (2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol?
The canonical SMILES for (2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol is OCC12C=CCN1CC(F)C2.
What is the InChIKey of (2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol?
The InChIKey is PWFNNKKGAPEXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c9-7-4-8(6-11)2-1-3-10(8)5-7/h1-2,7,11H,3-6H2.
What are the key properties of (2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol?
(2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol has a molecular weight of 157.19 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol is sourced from PubChem (CID 166162578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).