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

C11H20FNO — CID 167216526

IUPAC(3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine
SMILESCOC[C@H]1CC[C@H]2CC(C)(F)CCN12
InChIInChI=1S/C11H20FNO/c1-11(12)5-6-13-9(7-11)3-4-10(13)8-14-2/h9-10H,3-8H2,1-2H3/t9-,10+,11?/m0/s1
InChIKeyJVWCIESGQCNHPP-MTULOOOASA-N
MW201.28 g/mol
LogP1.99
Rot. Bonds2

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

(3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine (PubChem CID 167216526) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine.

Molecular Properties

Compound Name(3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine
PubChem CID167216526
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine
SMILESCOC[C@H]1CC[C@H]2CC(C)(F)CCN12
InChIInChI=1S/C11H20FNO/c1-11(12)5-6-13-9(7-11)3-4-10(13)8-14-2/h9-10H,3-8H2,1-2H3/t9-,10+,11?/m0/s1
InChIKeyJVWCIESGQCNHPP-MTULOOOASA-N
XLogP1.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine?
The IUPAC name of (3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine (CID 167216526) is (3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine.
What is the SMILES notation for (3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine?
The canonical SMILES for (3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine is COC[C@H]1CC[C@H]2CC(C)(F)CCN12.
What is the InChIKey of (3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine?
The InChIKey is JVWCIESGQCNHPP-MTULOOOASA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(12)5-6-13-9(7-11)3-4-10(13)8-14-2/h9-10H,3-8H2,1-2H3/t9-,10+,11?/m0/s1.
What are the key properties of (3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine?
(3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine has a molecular weight of 201.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine is sourced from PubChem (CID 167216526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).