2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine

C10H17F2N — CID 163614746

IUPAC2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)C12CC(F)CN1CC(F)C2
InChIInChI=1S/C10H17F2N/c1-7(2)10-3-8(11)5-13(10)6-9(12)4-10/h7-9H,3-6H2,1-2H3
InChIKeyIXKYHZFVSWEIJJ-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.17
Rot. Bonds1

About 2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine

2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 163614746) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID163614746
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)C12CC(F)CN1CC(F)C2
InChIInChI=1S/C10H17F2N/c1-7(2)10-3-8(11)5-13(10)6-9(12)4-10/h7-9H,3-6H2,1-2H3
InChIKeyIXKYHZFVSWEIJJ-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine (CID 163614746) is 2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)C12CC(F)CN1CC(F)C2.
What is the InChIKey of 2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is IXKYHZFVSWEIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7(2)10-3-8(11)5-13(10)6-9(12)4-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 189.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 163614746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).