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

C13H21F2NO — CID 169182110

IUPAC(8S)-1',1'-difluoro-8-(propan-2-yloxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
SMILESCC(C)OC[C@@]12CCCN1CC1(CC1(F)F)C2
InChIInChI=1S/C13H21F2NO/c1-10(2)17-9-12-4-3-5-16(12)8-11(6-12)7-13(11,14)15/h10H,3-9H2,1-2H3/t11?,12-/m0/s1
InChIKeyZVBWSTUPFHASFM-KIYNQFGBSA-N
MW245.31 g/mol
LogP2.68
Rot. Bonds3

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

(8S)-1',1'-difluoro-8-(propan-2-yloxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] (PubChem CID 169182110) has the molecular formula C13H21F2NO and a molecular weight of 245.31 g/mol. Its IUPAC name is (8S)-1',1'-difluoro-8-(propan-2-yloxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane].

Molecular Properties

Compound Name(8S)-1',1'-difluoro-8-(propan-2-yloxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
PubChem CID169182110
Molecular FormulaC13H21F2NO
Molecular Weight245.31 g/mol
Exact Mass245.16
IUPAC Name(8S)-1',1'-difluoro-8-(propan-2-yloxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
SMILESCC(C)OC[C@@]12CCCN1CC1(CC1(F)F)C2
InChIInChI=1S/C13H21F2NO/c1-10(2)17-9-12-4-3-5-16(12)8-11(6-12)7-13(11,14)15/h10H,3-9H2,1-2H3/t11?,12-/m0/s1
InChIKeyZVBWSTUPFHASFM-KIYNQFGBSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-1',1'-difluoro-8-(propan-2-yloxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The IUPAC name of (8S)-1',1'-difluoro-8-(propan-2-yloxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] (CID 169182110) is (8S)-1',1'-difluoro-8-(propan-2-yloxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane].
What is the SMILES notation for (8S)-1',1'-difluoro-8-(propan-2-yloxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The canonical SMILES for (8S)-1',1'-difluoro-8-(propan-2-yloxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] is CC(C)OC[C@@]12CCCN1CC1(CC1(F)F)C2.
What is the InChIKey of (8S)-1',1'-difluoro-8-(propan-2-yloxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The InChIKey is ZVBWSTUPFHASFM-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H21F2NO/c1-10(2)17-9-12-4-3-5-16(12)8-11(6-12)7-13(11,14)15/h10H,3-9H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of (8S)-1',1'-difluoro-8-(propan-2-yloxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
(8S)-1',1'-difluoro-8-(propan-2-yloxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] has a molecular weight of 245.31 g/mol, XLogP of 2.68, 3 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-(propan-2-yloxymethyl)spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] is sourced from PubChem (CID 169182110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).