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

C8H12FNO — CID 166984294

IUPAC(6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol
SMILESOCC12C=C(F)CN1CCC2
InChIInChI=1S/C8H12FNO/c9-7-4-8(6-11)2-1-3-10(8)5-7/h4,11H,1-3,5-6H2
InChIKeyUUKZMWWDBMHUGK-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.68
Rot. Bonds1

About (6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol

(6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol (PubChem CID 166984294) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol.

Molecular Properties

Compound Name(6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol
PubChem CID166984294
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol
SMILESOCC12C=C(F)CN1CCC2
InChIInChI=1S/C8H12FNO/c9-7-4-8(6-11)2-1-3-10(8)5-7/h4,11H,1-3,5-6H2
InChIKeyUUKZMWWDBMHUGK-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol?
The IUPAC name of (6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol (CID 166984294) is (6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol.
What is the SMILES notation for (6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol?
The canonical SMILES for (6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol is OCC12C=C(F)CN1CCC2.
What is the InChIKey of (6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol?
The InChIKey is UUKZMWWDBMHUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c9-7-4-8(6-11)2-1-3-10(8)5-7/h4,11H,1-3,5-6H2.
What are the key properties of (6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol?
(6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol has a molecular weight of 157.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol is sourced from PubChem (CID 166984294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).