(2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane

C12H24FNO — CID 177009819

IUPAC(2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane
SMILESC.CCOC(C)[C@@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C11H20FNO.CH4/c1-3-14-9(2)11-5-4-6-13(11)8-10(12)7-11;/h9-10H,3-8H2,1-2H3;1H4/t9?,10-,11+;/m1./s1
InChIKeyQNCVZAJKBOGEEI-LLRQXEEASA-N
MW217.33 g/mol
LogP2.62
Rot. Bonds3

About (2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane

(2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane (PubChem CID 177009819) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is (2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane.

Molecular Properties

Compound Name(2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane
PubChem CID177009819
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name(2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane
SMILESC.CCOC(C)[C@@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C11H20FNO.CH4/c1-3-14-9(2)11-5-4-6-13(11)8-10(12)7-11;/h9-10H,3-8H2,1-2H3;1H4/t9?,10-,11+;/m1./s1
InChIKeyQNCVZAJKBOGEEI-LLRQXEEASA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 170771511
(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
3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane
CID 170421734
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
(2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane
CID 164903957
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109110
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427
(2R,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903949
ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177010029
(2R,8R)-2-fluoro-7,7-dimethyl-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
CID 176776146
benzene;ethane;(8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;fluoromethane
CID 177213011
2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
CID 170689578

Frequently Asked Questions

What is the IUPAC name of (2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane?
The IUPAC name of (2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane (CID 177009819) is (2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane.
What is the SMILES notation for (2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane?
The canonical SMILES for (2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane is C.CCOC(C)[C@@]12CCCN1C[C@H](F)C2.
What is the InChIKey of (2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane?
The InChIKey is QNCVZAJKBOGEEI-LLRQXEEASA-N. The full InChI is InChI=1S/C11H20FNO.CH4/c1-3-14-9(2)11-5-4-6-13(11)8-10(12)7-11;/h9-10H,3-8H2,1-2H3;1H4/t9?,10-,11+;/m1./s1.
What are the key properties of (2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane?
(2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane has a molecular weight of 217.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane is sourced from PubChem (CID 177009819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).