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

C8H11F2N — CID 169181382

IUPAC6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine
SMILESFC(F)=C1CC2CCCN2C1
InChIInChI=1S/C8H11F2N/c9-8(10)6-4-7-2-1-3-11(7)5-6/h7H,1-5H2
InChIKeyWAZNEXXZUXXOHJ-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.01
Rot. Bonds

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

6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine (PubChem CID 169181382) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine.

Molecular Properties

Compound Name6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine
PubChem CID169181382
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine
SMILESFC(F)=C1CC2CCCN2C1
InChIInChI=1S/C8H11F2N/c9-8(10)6-4-7-2-1-3-11(7)5-6/h7H,1-5H2
InChIKeyWAZNEXXZUXXOHJ-UHFFFAOYSA-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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Related Compounds

1-Methylenepyrrolizidine
CID 3990672
(7aS)-1-Methylenehexahydro-1H-pyrrolizine
CID 11815860
6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163623853
(8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875954
6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 166984254
6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 169182002
2-Fluoro-6-methylidene-1,2,3,5,7,8-hexahydropyrrolizine
CID 169560034
(6Z)-6-(fluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine
CID 170224469
6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 170274754
(6E)-6-(fluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine
CID 170423200
(8S)-6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine
CID 171619492
(8R)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 172288069

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine?
The IUPAC name of 6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine (CID 169181382) is 6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine.
What is the SMILES notation for 6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine?
The canonical SMILES for 6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine is FC(F)=C1CC2CCCN2C1.
What is the InChIKey of 6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine?
The InChIKey is WAZNEXXZUXXOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c9-8(10)6-4-7-2-1-3-11(7)5-6/h7H,1-5H2.
What are the key properties of 6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine?
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 6-(difluoromethylidene)-1,2,3,5,7,8-hexahydropyrrolizine is sourced from PubChem (CID 169181382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).