(8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]

C14H23F2NO — CID 169315211

IUPAC(8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
SMILESCC(C)(C)OC[C@@]12CCCN1CC1(CC1(F)F)C2
InChIInChI=1S/C14H23F2NO/c1-11(2,3)18-10-13-5-4-6-17(13)9-12(7-13)8-14(12,15)16/h4-10H2,1-3H3/t12?,13-/m0/s1
InChIKeyJIQDLLOBNQNZLA-ABLWVSNPSA-N
MW259.34 g/mol
LogP3.07
Rot. Bonds2

About (8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]

(8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] (PubChem CID 169315211) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is (8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane].

Molecular Properties

Compound Name(8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
PubChem CID169315211
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name(8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
SMILESCC(C)(C)OC[C@@]12CCCN1CC1(CC1(F)F)C2
InChIInChI=1S/C14H23F2NO/c1-11(2,3)18-10-13-5-4-6-17(13)9-12(7-13)8-14(12,15)16/h4-10H2,1-3H3/t12?,13-/m0/s1
InChIKeyJIQDLLOBNQNZLA-ABLWVSNPSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The IUPAC name of (8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] (CID 169315211) is (8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane].
What is the SMILES notation for (8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The canonical SMILES for (8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] is CC(C)(C)OC[C@@]12CCCN1CC1(CC1(F)F)C2.
What is the InChIKey of (8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The InChIKey is JIQDLLOBNQNZLA-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-11(2,3)18-10-13-5-4-6-17(13)9-12(7-13)8-14(12,15)16/h4-10H2,1-3H3/t12?,13-/m0/s1.
What are the key properties of (8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
(8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] has a molecular weight of 259.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] is sourced from PubChem (CID 169315211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).