(2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite

C9H16FNO2 — CID 164904195

IUPAC(2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite
SMILESCOC1CN2CCCC2(COF)C1
InChIInChI=1S/C9H16FNO2/c1-12-8-5-9(7-13-10)3-2-4-11(9)6-8/h8H,2-7H2,1H3
InChIKeyDKYAAXYRKCGWCB-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.14
Rot. Bonds3

About (2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite

(2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite (PubChem CID 164904195) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite.

Molecular Properties

Compound Name(2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite
PubChem CID164904195
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite
SMILESCOC1CN2CCCC2(COF)C1
InChIInChI=1S/C9H16FNO2/c1-12-8-5-9(7-13-10)3-2-4-11(9)6-8/h8H,2-7H2,1H3
InChIKeyDKYAAXYRKCGWCB-UHFFFAOYSA-N
XLogP1.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite?
The IUPAC name of (2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite (CID 164904195) is (2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite.
What is the SMILES notation for (2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite?
The canonical SMILES for (2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite is COC1CN2CCCC2(COF)C1.
What is the InChIKey of (2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite?
The InChIKey is DKYAAXYRKCGWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-12-8-5-9(7-13-10)3-2-4-11(9)6-8/h8H,2-7H2,1H3.
What are the key properties of (2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite?
(2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite has a molecular weight of 189.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methyl hypofluorite is sourced from PubChem (CID 164904195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).