[(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol

C10H14F3NO — CID 171397520

IUPAC[(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol
SMILESOC[C@@]12C[C@@H](F)CN1C[C@@]1(CC1(F)F)C2
InChIInChI=1S/C10H14F3NO/c11-7-1-9(6-15)3-8(4-10(8,12)13)5-14(9)2-7/h7,15H,1-6H2/t7-,8+,9+/m1/s1
InChIKeyOZTYJBZITNUBBM-VGMNWLOBSA-N
MW221.22 g/mol
LogP1.19
Rot. Bonds1

About [(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol

[(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol (PubChem CID 171397520) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is [(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol.

Molecular Properties

Compound Name[(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol
PubChem CID171397520
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name[(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol
SMILESOC[C@@]12C[C@@H](F)CN1C[C@@]1(CC1(F)F)C2
InChIInChI=1S/C10H14F3NO/c11-7-1-9(6-15)3-8(4-10(8,12)13)5-14(9)2-7/h7,15H,1-6H2/t7-,8+,9+/m1/s1
InChIKeyOZTYJBZITNUBBM-VGMNWLOBSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol with MolForge

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Related Compounds

8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
CID 165123955
(2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 155487742
[(2R,8R)-2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 174267695
8-tert-butyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
CID 176800788
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 118109098
ethane;[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethanol
CID 170771438
benzene;[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;fluoromethane
CID 177213305
2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
CID 170956574
dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 168864414
(2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 176776231
[(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
CID 175977713
benzene;ethane;(8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;fluoromethane
CID 177213011

Frequently Asked Questions

What is the IUPAC name of [(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol?
The IUPAC name of [(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol (CID 171397520) is [(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol.
What is the SMILES notation for [(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol?
The canonical SMILES for [(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol is OC[C@@]12C[C@@H](F)CN1C[C@@]1(CC1(F)F)C2.
What is the InChIKey of [(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol?
The InChIKey is OZTYJBZITNUBBM-VGMNWLOBSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-7-1-9(6-15)3-8(4-10(8,12)13)5-14(9)2-7/h7,15H,1-6H2/t7-,8+,9+/m1/s1.
What are the key properties of [(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol?
[(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol has a molecular weight of 221.22 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol is sourced from PubChem (CID 171397520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).