(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol

C8H14FNO — CID 118121031

IUPAC(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
SMILESOCC12CCCN1CC(F)C2
InChIInChI=1S/C8H14FNO/c9-7-4-8(6-11)2-1-3-10(8)5-7/h7,11H,1-6H2
InChIKeyQAJRFPVPHUYVFE-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.56
Rot. Bonds1

About (2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol

(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol (PubChem CID 118121031) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
PubChem CID118121031
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
SMILESOCC12CCCN1CC(F)C2
InChIInChI=1S/C8H14FNO/c9-7-4-8(6-11)2-1-3-10(8)5-7/h7,11H,1-6H2
InChIKeyQAJRFPVPHUYVFE-UHFFFAOYSA-N
XLogP0.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
The IUPAC name of (2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol (CID 118121031) is (2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol.
What is the SMILES notation for (2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
The canonical SMILES for (2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol is OCC12CCCN1CC(F)C2.
What is the InChIKey of (2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
The InChIKey is QAJRFPVPHUYVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-7-4-8(6-11)2-1-3-10(8)5-7/h7,11H,1-6H2.
What are the key properties of (2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol has a molecular weight of 159.20 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol is sourced from PubChem (CID 118121031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).