(6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite

C9H14FNO — CID 164922582

IUPAC(6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite
SMILESC=C1CN2CCCC2(COF)C1
InChIInChI=1S/C9H14FNO/c1-8-5-9(7-12-10)3-2-4-11(9)6-8/h1-7H2
InChIKeyOFTVSSJXAVFAIJ-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.68
Rot. Bonds2

About (6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite

(6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite (PubChem CID 164922582) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is (6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite.

Molecular Properties

Compound Name(6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite
PubChem CID164922582
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name(6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite
SMILESC=C1CN2CCCC2(COF)C1
InChIInChI=1S/C9H14FNO/c1-8-5-9(7-12-10)3-2-4-11(9)6-8/h1-7H2
InChIKeyOFTVSSJXAVFAIJ-UHFFFAOYSA-N
XLogP1.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 162730762
(6E)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163656569
2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163656570
(2-fluoro-6-methylene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 163686023
[(6Z,8S)-6-(fluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875895
[(8R)-6-(difluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875941
[(8S)-6-(difluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875966
(S,Z)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 164876019
(S,E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 164876022
[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite
CID 164921947
6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164922087
[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164922173

Frequently Asked Questions

What is the IUPAC name of (6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite?
The IUPAC name of (6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite (CID 164922582) is (6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite.
What is the SMILES notation for (6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite?
The canonical SMILES for (6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite is C=C1CN2CCCC2(COF)C1.
What is the InChIKey of (6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite?
The InChIKey is OFTVSSJXAVFAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-8-5-9(7-12-10)3-2-4-11(9)6-8/h1-7H2.
What are the key properties of (6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite?
(6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite has a molecular weight of 171.21 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite is sourced from PubChem (CID 164922582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).