ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane

C11H23FNOP — CID 168881236

IUPACethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane
SMILESCC.COCC12CCCN1CC(F)(P)C2
InChIInChI=1S/C9H17FNOP.C2H6/c1-12-7-8-3-2-4-11(8)6-9(10,13)5-8;1-2/h2-7,13H2,1H3;1-2H3
InChIKeyJCHRGGPXCLSBPU-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.44
Rot. Bonds2

About ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane

ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane (PubChem CID 168881236) has the molecular formula C11H23FNOP and a molecular weight of 235.28 g/mol. Its IUPAC name is ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane.

Molecular Properties

Compound Nameethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane
PubChem CID168881236
Molecular FormulaC11H23FNOP
Molecular Weight235.28 g/mol
Exact Mass235.15
IUPAC Nameethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane
SMILESCC.COCC12CCCN1CC(F)(P)C2
InChIInChI=1S/C9H17FNOP.C2H6/c1-12-7-8-3-2-4-11(8)6-9(10,13)5-8;1-2/h2-7,13H2,1H3;1-2H3
InChIKeyJCHRGGPXCLSBPU-UHFFFAOYSA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168942817
8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane
CID 164878560
ethane;(8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176919647
(8S)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-6-ide;rubidium(1+)
CID 176714593
ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177010029
8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate
CID 171786358
(2R,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903949
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427
(6S,8R)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
CID 169315600
ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164904163
(6S,8S)-1',1'-difluoro-8-(1-iodoethoxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
CID 177009358
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate
CID 166533544

Frequently Asked Questions

What is the IUPAC name of ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane?
The IUPAC name of ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane (CID 168881236) is ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane.
What is the SMILES notation for ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane?
The canonical SMILES for ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane is CC.COCC12CCCN1CC(F)(P)C2.
What is the InChIKey of ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane?
The InChIKey is JCHRGGPXCLSBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FNOP.C2H6/c1-12-7-8-3-2-4-11(8)6-9(10,13)5-8;1-2/h2-7,13H2,1H3;1-2H3.
What are the key properties of ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane?
ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane has a molecular weight of 235.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane is sourced from PubChem (CID 168881236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).