(2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid

C8H11F2NO2 — CID 170356971

IUPAC(2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
SMILESO=C(O)C12C[C@H](F)CN1C[C@H](F)C2
InChIInChI=1S/C8H11F2NO2/c9-5-1-8(7(12)13)2-6(10)4-11(8)3-5/h5-6H,1-4H2,(H,12,13)/t5-,6+,8?
InChIKeyIBDIUIIUJRFBCA-OFWQXNEASA-N
MW191.18 g/mol
LogP0.60
Rot. Bonds1

About (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid

(2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid (PubChem CID 170356971) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid.

Molecular Properties

Compound Name(2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
PubChem CID170356971
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
SMILESO=C(O)C12C[C@H](F)CN1C[C@H](F)C2
InChIInChI=1S/C8H11F2NO2/c9-5-1-8(7(12)13)2-6(10)4-11(8)3-5/h5-6H,1-4H2,(H,12,13)/t5-,6+,8?
InChIKeyIBDIUIIUJRFBCA-OFWQXNEASA-N
XLogP0.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,8R)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
CID 170356923
(2R,6R,8S)-2-fluoro-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
CID 170357066
(2R,8R)-2-fluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]-8-carboxylic acid
CID 174165292
methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 170677374
methyl 2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 166095803
1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one
CID 168880790
(2S)-2-fluorocyclopropane-1,1-dicarboxylic acid
CID 93497127
1-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 82235039
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 118109098
(4S)-4-fluoro-2-(2-oxoethyl)pyrrolidine-1,2-dicarboxylic acid
CID 91287750
fluoromethane;methyl (2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate;thiophene
CID 177213248
1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid
CID 79694842

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The IUPAC name of (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid (CID 170356971) is (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid.
What is the SMILES notation for (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The canonical SMILES for (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid is O=C(O)C12C[C@H](F)CN1C[C@H](F)C2.
What is the InChIKey of (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The InChIKey is IBDIUIIUJRFBCA-OFWQXNEASA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-5-1-8(7(12)13)2-6(10)4-11(8)3-5/h5-6H,1-4H2,(H,12,13)/t5-,6+,8?.
What are the key properties of (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
(2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid has a molecular weight of 191.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid is sourced from PubChem (CID 170356971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).