methyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

C16H20FNO2 — CID 169228098

IUPACmethyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESCOC(=O)C12CCCN1C(C)(c1ccc(F)cc1)CC2
InChIInChI=1S/C16H20FNO2/c1-15(12-4-6-13(17)7-5-12)9-10-16(14(19)20-2)8-3-11-18(15)16/h4-7H,3,8-11H2,1-2H3
InChIKeyQAOVVHQEBLLVEB-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.84
Rot. Bonds2

About methyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

methyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (PubChem CID 169228098) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is methyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
PubChem CID169228098
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Namemethyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESCOC(=O)C12CCCN1C(C)(c1ccc(F)cc1)CC2
InChIInChI=1S/C16H20FNO2/c1-15(12-4-6-13(17)7-5-12)9-10-16(14(19)20-2)8-3-11-18(15)16/h4-7H,3,8-11H2,1-2H3
InChIKeyQAOVVHQEBLLVEB-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The IUPAC name of methyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (CID 169228098) is methyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The canonical SMILES for methyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is COC(=O)C12CCCN1C(C)(c1ccc(F)cc1)CC2.
What is the InChIKey of methyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The InChIKey is QAOVVHQEBLLVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-15(12-4-6-13(17)7-5-12)9-10-16(14(19)20-2)8-3-11-18(15)16/h4-7H,3,8-11H2,1-2H3.
What are the key properties of methyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
methyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate has a molecular weight of 277.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorophenyl)-5-methyl-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is sourced from PubChem (CID 169228098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).