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

C10H15F2NO — CID 170565022

IUPAC[6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
SMILESOCC12CCCN1CC(=CC(F)F)C2
InChIInChI=1S/C10H15F2NO/c11-9(12)4-8-5-10(7-14)2-1-3-13(10)6-8/h4,9,14H,1-3,5-7H2
InChIKeyKLTOTMXJEKNYDI-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.41
Rot. Bonds2

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

[6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol (PubChem CID 170565022) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is [6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
PubChem CID170565022
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name[6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
SMILESOCC12CCCN1CC(=CC(F)F)C2
InChIInChI=1S/C10H15F2NO/c11-9(12)4-8-5-10(7-14)2-1-3-13(10)6-8/h4,9,14H,1-3,5-7H2
InChIKeyKLTOTMXJEKNYDI-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The IUPAC name of [6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol (CID 170565022) is [6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol.
What is the SMILES notation for [6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The canonical SMILES for [6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol is OCC12CCCN1CC(=CC(F)F)C2.
What is the InChIKey of [6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The InChIKey is KLTOTMXJEKNYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c11-9(12)4-8-5-10(7-14)2-1-3-13(10)6-8/h4,9,14H,1-3,5-7H2.
What are the key properties of [6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
[6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol has a molecular weight of 203.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2-difluoroethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol is sourced from PubChem (CID 170565022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).