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

C10H18FNO — CID 170771511

IUPAC2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOC(C)C12CCCN1CC(F)C2
InChIInChI=1S/C10H18FNO/c1-8(13-2)10-4-3-5-12(10)7-9(11)6-10/h8-9H,3-7H2,1-2H3
InChIKeyQNPTZWBEQJOSNC-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.60
Rot. Bonds2

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

2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 170771511) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID170771511
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOC(C)C12CCCN1CC(F)C2
InChIInChI=1S/C10H18FNO/c1-8(13-2)10-4-3-5-12(10)7-9(11)6-10/h8-9H,3-7H2,1-2H3
InChIKeyQNPTZWBEQJOSNC-UHFFFAOYSA-N
XLogP1.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

(2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane
CID 177009819
3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane
CID 170421734
(2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 172612274
1-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethoxyphosphane;tungsten
CID 169041366
2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
CID 170689578
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
(2R,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903949
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427
(2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane
CID 164903957
ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177010029
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109110
7-bromo-6-chloro-8-fluoro-2-[(1S)-1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethoxy]-4-piperidin-1-ylquinazoline
CID 169184968

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 170771511) is 2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine is COC(C)C12CCCN1CC(F)C2.
What is the InChIKey of 2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is QNPTZWBEQJOSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8(13-2)10-4-3-5-12(10)7-9(11)6-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 187.26 g/mol, XLogP of 1.60, 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-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 170771511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).