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

C9H13F2N — CID 170274754

IUPAC6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC12CCCN1CC(=C(F)F)C2
InChIInChI=1S/C9H13F2N/c1-9-3-2-4-12(9)6-7(5-9)8(10)11/h2-6H2,1H3
InChIKeyRIOYIEJKWMHYNS-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.40
Rot. Bonds

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

6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 170274754) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID170274754
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC12CCCN1CC(=C(F)F)C2
InChIInChI=1S/C9H13F2N/c1-9-3-2-4-12(9)6-7(5-9)8(10)11/h2-6H2,1H3
InChIKeyRIOYIEJKWMHYNS-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 170274754) is 6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine is CC12CCCN1CC(=C(F)F)C2.
What is the InChIKey of 6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is RIOYIEJKWMHYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N/c1-9-3-2-4-12(9)6-7(5-9)8(10)11/h2-6H2,1H3.
What are the key properties of 6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 173.21 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 170274754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).