6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

C10H15F2NO — CID 164922087

IUPAC6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCOCC12CCCN1CC(=C(F)F)C2
InChIInChI=1S/C10H15F2NO/c1-14-7-10-3-2-4-13(10)6-8(5-10)9(11)12/h2-7H2,1H3
InChIKeyWSIAOMJFFUYPTL-UHFFFAOYSA-N
MW203.23 g/mol
LogP2.02
Rot. Bonds2

About 6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 164922087) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID164922087
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCOCC12CCCN1CC(=C(F)F)C2
InChIInChI=1S/C10H15F2NO/c1-14-7-10-3-2-4-13(10)6-8(5-10)9(11)12/h2-7H2,1H3
InChIKeyWSIAOMJFFUYPTL-UHFFFAOYSA-N
XLogP2.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 164922087) is 6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is COCC12CCCN1CC(=C(F)F)C2.
What is the InChIKey of 6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is WSIAOMJFFUYPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-14-7-10-3-2-4-13(10)6-8(5-10)9(11)12/h2-7H2,1H3.
What are the key properties of 6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 203.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 164922087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).