ethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine

C12H22F3NO2 — CID 164922114

IUPACethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC.COCC12CCCN1CC(OC(F)(F)F)C2
InChIInChI=1S/C10H16F3NO2.C2H6/c1-15-7-9-3-2-4-14(9)6-8(5-9)16-10(11,12)13;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyPLKDRLSJGXDRFY-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.80
Rot. Bonds3

About ethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine

ethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164922114) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is ethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Nameethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164922114
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Nameethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC.COCC12CCCN1CC(OC(F)(F)F)C2
InChIInChI=1S/C10H16F3NO2.C2H6/c1-15-7-9-3-2-4-14(9)6-8(5-9)16-10(11,12)13;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyPLKDRLSJGXDRFY-UHFFFAOYSA-N
XLogP2.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of ethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine (CID 164922114) is ethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for ethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for ethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine is CC.COCC12CCCN1CC(OC(F)(F)F)C2.
What is the InChIKey of ethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is PLKDRLSJGXDRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2.C2H6/c1-15-7-9-3-2-4-14(9)6-8(5-9)16-10(11,12)13;1-2/h8H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine?
ethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 269.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164922114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).