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

C11H18FNO — CID 164878652

IUPAC2-fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOC1(C23CCCN2CC(F)C3)CC1
InChIInChI=1S/C11H18FNO/c1-14-11(4-5-11)10-3-2-6-13(10)8-9(12)7-10/h9H,2-8H2,1H3
InChIKeyLXOKLXQAJZOWHL-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.74
Rot. Bonds2

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

2-fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164878652) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2-fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164878652
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name2-fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOC1(C23CCCN2CC(F)C3)CC1
InChIInChI=1S/C11H18FNO/c1-14-11(4-5-11)10-3-2-6-13(10)8-9(12)7-10/h9H,2-8H2,1H3
InChIKeyLXOKLXQAJZOWHL-UHFFFAOYSA-N
XLogP1.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 156206155
6,6-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 156223597
2-Fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 156898417
6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 159331623
(2R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 162743140
1-Fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 163889604
2,6-Difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 163889605
7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
CID 163889606
6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163889612
(8S)-8-(ethoxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164104489
1-(2-Fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)cyclopropan-1-ol
CID 164878377
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2-fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 164878652) is 2-fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2-fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2-fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine is COC1(C23CCCN2CC(F)C3)CC1.
What is the InChIKey of 2-fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is LXOKLXQAJZOWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-14-11(4-5-11)10-3-2-6-13(10)8-9(12)7-10/h9H,2-8H2,1H3.
What are the key properties of 2-fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
2-fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 199.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-(1-methoxycyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164878652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).