2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine

C10H18FNO — CID 167161624

IUPAC2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
SMILESCOCC12CCCCN1CC(F)C2
InChIInChI=1S/C10H18FNO/c1-13-8-10-4-2-3-5-12(10)7-9(11)6-10/h9H,2-8H2,1H3
InChIKeyJYLUZSXFSIVABL-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.60
Rot. Bonds2

About 2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine

2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine (PubChem CID 167161624) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine.

Molecular Properties

Compound Name2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
PubChem CID167161624
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
SMILESCOCC12CCCCN1CC(F)C2
InChIInChI=1S/C10H18FNO/c1-13-8-10-4-2-3-5-12(10)7-9(11)6-10/h9H,2-8H2,1H3
InChIKeyJYLUZSXFSIVABL-UHFFFAOYSA-N
XLogP1.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine?
The IUPAC name of 2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine (CID 167161624) is 2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine.
What is the SMILES notation for 2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine?
The canonical SMILES for 2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine is COCC12CCCCN1CC(F)C2.
What is the InChIKey of 2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine?
The InChIKey is JYLUZSXFSIVABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-13-8-10-4-2-3-5-12(10)7-9(11)6-10/h9H,2-8H2,1H3.
What are the key properties of 2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine?
2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine has a molecular weight of 187.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine is sourced from PubChem (CID 167161624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).