(3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C10H18FNO — CID 169254800

IUPAC(3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOC[C@@]12CCCN1[C@H](CF)CC2
InChIInChI=1S/C10H18FNO/c1-13-8-10-4-2-6-12(10)9(7-11)3-5-10/h9H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyYNXIJKHJKIOOGN-UWVGGRQHSA-N
MW187.26 g/mol
LogP1.60
Rot. Bonds3

About (3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

(3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 169254800) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID169254800
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOC[C@@]12CCCN1[C@H](CF)CC2
InChIInChI=1S/C10H18FNO/c1-13-8-10-4-2-6-12(10)9(7-11)3-5-10/h9H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyYNXIJKHJKIOOGN-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 (3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 169254800) is (3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is COC[C@@]12CCCN1[C@H](CF)CC2.
What is the InChIKey of (3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is YNXIJKHJKIOOGN-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18FNO/c1-13-8-10-4-2-6-12(10)9(7-11)3-5-10/h9H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
(3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-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 (3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 169254800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).