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

C9H13F2NO — CID 164875966

IUPAC[(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
SMILESOC[C@@]12CCCN1CC(=C(F)F)C2
InChIInChI=1S/C9H13F2NO/c10-8(11)7-4-9(6-13)2-1-3-12(9)5-7/h13H,1-6H2/t9-/m0/s1
InChIKeyWHTROZLXEJJKLK-VIFPVBQESA-N
MW189.20 g/mol
LogP1.37
Rot. Bonds1

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

[(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol (PubChem CID 164875966) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is [(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
PubChem CID164875966
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name[(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
SMILESOC[C@@]12CCCN1CC(=C(F)F)C2
InChIInChI=1S/C9H13F2NO/c10-8(11)7-4-9(6-13)2-1-3-12(9)5-7/h13H,1-6H2/t9-/m0/s1
InChIKeyWHTROZLXEJJKLK-VIFPVBQESA-N
XLogP1.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The IUPAC name of [(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol (CID 164875966) is [(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol.
What is the SMILES notation for [(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The canonical SMILES for [(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol is OC[C@@]12CCCN1CC(=C(F)F)C2.
What is the InChIKey of [(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The InChIKey is WHTROZLXEJJKLK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13F2NO/c10-8(11)7-4-9(6-13)2-1-3-12(9)5-7/h13H,1-6H2/t9-/m0/s1.
What are the key properties of [(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
[(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol has a molecular weight of 189.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol is sourced from PubChem (CID 164875966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).