6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine

C10H18FNO — CID 168881170

IUPAC6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCOCC12CCCN1CC(C)(F)C2
InChIInChI=1S/C10H18FNO/c1-9(11)6-10(8-13-2)4-3-5-12(10)7-9/h3-8H2,1-2H3
InChIKeyQKSRJFHHCSHQLW-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.60
Rot. Bonds2

About 6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine

6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 168881170) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID168881170
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCOCC12CCCN1CC(C)(F)C2
InChIInChI=1S/C10H18FNO/c1-9(11)6-10(8-13-2)4-3-5-12(10)7-9/h3-8H2,1-2H3
InChIKeyQKSRJFHHCSHQLW-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 6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 168881170) is 6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine is COCC12CCCN1CC(C)(F)C2.
What is the InChIKey of 6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is QKSRJFHHCSHQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-9(11)6-10(8-13-2)4-3-5-12(10)7-9/h3-8H2,1-2H3.
What are the key properties of 6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine 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 6-fluoro-8-(methoxymethyl)-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 168881170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).