(8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine

C8H11F2N — CID 171619492

IUPAC(8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine
SMILESFC(F)=C1C[C@@H]2CCCN2C1
InChIInChI=1S/C8H11F2N/c9-8(10)6-4-7-2-1-3-11(7)5-6/h7H,1-5H2/t7-/m0/s1
InChIKeyWAZNEXXZUXXOHJ-ZETCQYMHSA-N
MW159.18 g/mol
LogP2.01
Rot. Bonds

About (8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine

(8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine (PubChem CID 171619492) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is (8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine.

Molecular Properties

Compound Name(8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine
PubChem CID171619492
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine
SMILESFC(F)=C1C[C@@H]2CCCN2C1
InChIInChI=1S/C8H11F2N/c9-8(10)6-4-7-2-1-3-11(7)5-6/h7H,1-5H2/t7-/m0/s1
InChIKeyWAZNEXXZUXXOHJ-ZETCQYMHSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine?
The IUPAC name of (8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine (CID 171619492) is (8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine.
What is the SMILES notation for (8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine?
The canonical SMILES for (8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine is FC(F)=C1C[C@@H]2CCCN2C1.
What is the InChIKey of (8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine?
The InChIKey is WAZNEXXZUXXOHJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11F2N/c9-8(10)6-4-7-2-1-3-11(7)5-6/h7H,1-5H2/t7-/m0/s1.
What are the key properties of (8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine?
(8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine has a molecular weight of 159.18 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine is sourced from PubChem (CID 171619492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).