2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol

C9H15F2NO — CID 167178790

IUPAC2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol
SMILESOCC[C@]12CCCN1CC(F)(F)C2
InChIInChI=1S/C9H15F2NO/c10-9(11)6-8(3-5-13)2-1-4-12(8)7-9/h13H,1-7H2/t8-/m0/s1
InChIKeyHVISBWSOHZQXGP-QMMMGPOBSA-N
MW191.22 g/mol
LogP1.24
Rot. Bonds2

About 2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol

2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol (PubChem CID 167178790) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol.

Molecular Properties

Compound Name2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol
PubChem CID167178790
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol
SMILESOCC[C@]12CCCN1CC(F)(F)C2
InChIInChI=1S/C9H15F2NO/c10-9(11)6-8(3-5-13)2-1-4-12(8)7-9/h13H,1-7H2/t8-/m0/s1
InChIKeyHVISBWSOHZQXGP-QMMMGPOBSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol?
The IUPAC name of 2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol (CID 167178790) is 2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol.
What is the SMILES notation for 2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol?
The canonical SMILES for 2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol is OCC[C@]12CCCN1CC(F)(F)C2.
What is the InChIKey of 2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol?
The InChIKey is HVISBWSOHZQXGP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)6-8(3-5-13)2-1-4-12(8)7-9/h13H,1-7H2/t8-/m0/s1.
What are the key properties of 2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol?
2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol has a molecular weight of 191.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]ethanol is sourced from PubChem (CID 167178790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).