(2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine

C10H18FNO — CID 166489515

IUPAC(2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCOC[C@@]12CCCN1C[C@@H](F)C2
InChIInChI=1S/C10H18FNO/c1-2-13-8-10-4-3-5-12(10)7-9(11)6-10/h9H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyRDEMTUFXKIIAPJ-UWVGGRQHSA-N
MW187.26 g/mol
LogP1.60
Rot. Bonds3

About (2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine

(2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 166489515) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID166489515
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCOC[C@@]12CCCN1C[C@@H](F)C2
InChIInChI=1S/C10H18FNO/c1-2-13-8-10-4-3-5-12(10)7-9(11)6-10/h9H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyRDEMTUFXKIIAPJ-UWVGGRQHSA-N
XLogP1.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (CID 166489515) is (2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is CCOC[C@@]12CCCN1C[C@@H](F)C2.
What is the InChIKey of (2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is RDEMTUFXKIIAPJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18FNO/c1-2-13-8-10-4-3-5-12(10)7-9(11)6-10/h9H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
(2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 187.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 166489515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).