(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid

C10H13F2NO2 — CID 170305363

IUPAC(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid
SMILESO=C(O)C12CCCN1C[C@]1(C2)CC1(F)F
InChIInChI=1S/C10H13F2NO2/c11-10(12)5-8(10)4-9(7(14)15)2-1-3-13(9)6-8/h1-6H2,(H,14,15)/t8-,9?/m0/s1
InChIKeyOYGVBBLTXIROEY-IENPIDJESA-N
MW217.21 g/mol
LogP1.33
Rot. Bonds1

About (6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid

(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid (PubChem CID 170305363) has the molecular formula C10H13F2NO2 and a molecular weight of 217.21 g/mol. Its IUPAC name is (6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid.

Molecular Properties

Compound Name(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid
PubChem CID170305363
Molecular FormulaC10H13F2NO2
Molecular Weight217.21 g/mol
Exact Mass217.09
IUPAC Name(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid
SMILESO=C(O)C12CCCN1C[C@]1(C2)CC1(F)F
InChIInChI=1S/C10H13F2NO2/c11-10(12)5-8(10)4-9(7(14)15)2-1-3-13(9)6-8/h1-6H2,(H,14,15)/t8-,9?/m0/s1
InChIKeyOYGVBBLTXIROEY-IENPIDJESA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid?
The IUPAC name of (6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid (CID 170305363) is (6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid.
What is the SMILES notation for (6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid?
The canonical SMILES for (6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid is O=C(O)C12CCCN1C[C@]1(C2)CC1(F)F.
What is the InChIKey of (6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid?
The InChIKey is OYGVBBLTXIROEY-IENPIDJESA-N. The full InChI is InChI=1S/C10H13F2NO2/c11-10(12)5-8(10)4-9(7(14)15)2-1-3-13(9)6-8/h1-6H2,(H,14,15)/t8-,9?/m0/s1.
What are the key properties of (6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid?
(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid has a molecular weight of 217.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-carboxylic acid is sourced from PubChem (CID 170305363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).