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

C8H14FNO — CID 163686021

IUPAC(1-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
SMILESOCC12CCCN1CCC2F
InChIInChI=1S/C8H14FNO/c9-7-2-5-10-4-1-3-8(7,10)6-11/h7,11H,1-6H2
InChIKeyWNUJMKPYASTXCJ-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.56
Rot. Bonds1

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

(1-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol (PubChem CID 163686021) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (1-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol.

Molecular Properties

Compound Name(1-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
PubChem CID163686021
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(1-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
SMILESOCC12CCCN1CCC2F
InChIInChI=1S/C8H14FNO/c9-7-2-5-10-4-1-3-8(7,10)6-11/h7,11H,1-6H2
InChIKeyWNUJMKPYASTXCJ-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 (1-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
The IUPAC name of (1-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol (CID 163686021) is (1-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol.
What is the SMILES notation for (1-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
The canonical SMILES for (1-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol is OCC12CCCN1CCC2F.
What is the InChIKey of (1-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
The InChIKey is WNUJMKPYASTXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-7-2-5-10-4-1-3-8(7,10)6-11/h7,11H,1-6H2.
What are the key properties of (1-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
(1-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 (1-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol is sourced from PubChem (CID 163686021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).