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

C11H17F2N — CID 169182002

IUPAC6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCCC12CCCN1CC(=C(F)F)C2
InChIInChI=1S/C11H17F2N/c1-2-4-11-5-3-6-14(11)8-9(7-11)10(12)13/h2-8H2,1H3
InChIKeyCQUFKEMJPNVICL-UHFFFAOYSA-N
MW201.26 g/mol
LogP3.18
Rot. Bonds2

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

6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 169182002) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID169182002
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCCC12CCCN1CC(=C(F)F)C2
InChIInChI=1S/C11H17F2N/c1-2-4-11-5-3-6-14(11)8-9(7-11)10(12)13/h2-8H2,1H3
InChIKeyCQUFKEMJPNVICL-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 169182002) is 6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine is CCCC12CCCN1CC(=C(F)F)C2.
What is the InChIKey of 6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is CQUFKEMJPNVICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N/c1-2-4-11-5-3-6-14(11)8-9(7-11)10(12)13/h2-8H2,1H3.
What are the key properties of 6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 201.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 169182002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).