(8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

C12H21F2NO — CID 166974399

IUPAC(8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCOC[C@]12CCCN1CC(CF)(CF)C2
InChIInChI=1S/C12H21F2NO/c1-2-16-10-12-4-3-5-15(12)9-11(6-12,7-13)8-14/h2-10H2,1H3/t12-/m1/s1
InChIKeyOBZKEHRSGYPILR-GFCCVEGCSA-N
MW233.30 g/mol
LogP2.19
Rot. Bonds5

About (8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

(8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 166974399) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is (8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID166974399
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name(8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCOC[C@]12CCCN1CC(CF)(CF)C2
InChIInChI=1S/C12H21F2NO/c1-2-16-10-12-4-3-5-15(12)9-11(6-12,7-13)8-14/h2-10H2,1H3/t12-/m1/s1
InChIKeyOBZKEHRSGYPILR-GFCCVEGCSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 166974399) is (8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is CCOC[C@]12CCCN1CC(CF)(CF)C2.
What is the InChIKey of (8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is OBZKEHRSGYPILR-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-2-16-10-12-4-3-5-15(12)9-11(6-12,7-13)8-14/h2-10H2,1H3/t12-/m1/s1.
What are the key properties of (8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 233.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(ethoxymethyl)-6,6-bis(fluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 166974399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).