2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine

C8H9F2N — CID 174227379

IUPAC2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine
SMILESFC(F)=C1CC2=CCCN2C1
InChIInChI=1S/C8H9F2N/c9-8(10)6-4-7-2-1-3-11(7)5-6/h2H,1,3-5H2
InChIKeyPNWMWISBUXWMDI-UHFFFAOYSA-N
MW157.16 g/mol
LogP2.13
Rot. Bonds

About 2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine

2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine (PubChem CID 174227379) has the molecular formula C8H9F2N and a molecular weight of 157.16 g/mol. Its IUPAC name is 2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine.

Molecular Properties

Compound Name2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine
PubChem CID174227379
Molecular FormulaC8H9F2N
Molecular Weight157.16 g/mol
Exact Mass157.07
IUPAC Name2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine
SMILESFC(F)=C1CC2=CCCN2C1
InChIInChI=1S/C8H9F2N/c9-8(10)6-4-7-2-1-3-11(7)5-6/h2H,1,3-5H2
InChIKeyPNWMWISBUXWMDI-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine?
The IUPAC name of 2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine (CID 174227379) is 2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine.
What is the SMILES notation for 2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine?
The canonical SMILES for 2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine is FC(F)=C1CC2=CCCN2C1.
What is the InChIKey of 2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine?
The InChIKey is PNWMWISBUXWMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N/c9-8(10)6-4-7-2-1-3-11(7)5-6/h2H,1,3-5H2.
What are the key properties of 2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine?
2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine has a molecular weight of 157.16 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine is sourced from PubChem (CID 174227379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).