[8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate

C15H27FN2O3 — CID 169000225

IUPAC[8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C)C(=O)OCC1CCC2(COF)CCCN12
InChIInChI=1S/C15H27FN2O3/c1-12(2)9-17(3)14(19)20-10-13-5-7-15(11-21-16)6-4-8-18(13)15/h12-13H,4-11H2,1-3H3
InChIKeyLNIFUFRQEUNRDR-UHFFFAOYSA-N
MW302.39 g/mol
LogP2.61
Rot. Bonds6

About [8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate

[8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate (PubChem CID 169000225) has the molecular formula C15H27FN2O3 and a molecular weight of 302.39 g/mol. Its IUPAC name is [8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Name[8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate
PubChem CID169000225
Molecular FormulaC15H27FN2O3
Molecular Weight302.39 g/mol
Exact Mass302.20
IUPAC Name[8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C)C(=O)OCC1CCC2(COF)CCCN12
InChIInChI=1S/C15H27FN2O3/c1-12(2)9-17(3)14(19)20-10-13-5-7-15(11-21-16)6-4-8-18(13)15/h12-13H,4-11H2,1-3H3
InChIKeyLNIFUFRQEUNRDR-UHFFFAOYSA-N
XLogP2.61
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate?
The IUPAC name of [8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate (CID 169000225) is [8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate.
What is the SMILES notation for [8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate?
The canonical SMILES for [8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate is CC(C)CN(C)C(=O)OCC1CCC2(COF)CCCN12.
What is the InChIKey of [8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate?
The InChIKey is LNIFUFRQEUNRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O3/c1-12(2)9-17(3)14(19)20-10-13-5-7-15(11-21-16)6-4-8-18(13)15/h12-13H,4-11H2,1-3H3.
What are the key properties of [8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate?
[8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate has a molecular weight of 302.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(fluorooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methyl-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 169000225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).