(8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane

C11H21F2NO — CID 166488906

IUPAC(8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane
SMILESCC.COC[C@@]12CCCN1CC(F)(F)C2
InChIInChI=1S/C9H15F2NO.C2H6/c1-13-7-8-3-2-4-12(8)6-9(10,11)5-8;1-2/h2-7H2,1H3;1-2H3/t8-;/m0./s1
InChIKeyWXFGYEFGOVPGNM-QRPNPIFTSA-N
MW221.29 g/mol
LogP2.53
Rot. Bonds2

About (8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane

(8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane (PubChem CID 166488906) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is (8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane.

Molecular Properties

Compound Name(8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane
PubChem CID166488906
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name(8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane
SMILESCC.COC[C@@]12CCCN1CC(F)(F)C2
InChIInChI=1S/C9H15F2NO.C2H6/c1-13-7-8-3-2-4-12(8)6-9(10,11)5-8;1-2/h2-7H2,1H3;1-2H3/t8-;/m0./s1
InChIKeyWXFGYEFGOVPGNM-QRPNPIFTSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane?
The IUPAC name of (8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane (CID 166488906) is (8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane.
What is the SMILES notation for (8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane?
The canonical SMILES for (8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane is CC.COC[C@@]12CCCN1CC(F)(F)C2.
What is the InChIKey of (8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane?
The InChIKey is WXFGYEFGOVPGNM-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H15F2NO.C2H6/c1-13-7-8-3-2-4-12(8)6-9(10,11)5-8;1-2/h2-7H2,1H3;1-2H3/t8-;/m0./s1.
What are the key properties of (8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane?
(8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane has a molecular weight of 221.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane is sourced from PubChem (CID 166488906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).