6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

C11H19F2NO — CID 164943188

IUPAC6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)OCC12CCCN1CC(F)(F)C2
InChIInChI=1S/C11H19F2NO/c1-9(2)15-8-10-4-3-5-14(10)7-11(12,13)6-10/h9H,3-8H2,1-2H3
InChIKeyUUHRYMGUKBDTMX-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.29
Rot. Bonds3

About 6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 164943188) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID164943188
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)OCC12CCCN1CC(F)(F)C2
InChIInChI=1S/C11H19F2NO/c1-9(2)15-8-10-4-3-5-14(10)7-11(12,13)6-10/h9H,3-8H2,1-2H3
InChIKeyUUHRYMGUKBDTMX-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 141470022
CID 141470022
CID 141470030
CID 141470030
CID 141470038
CID 141470038
CID 141470039
CID 141470039
CID 141470046
CID 141470046
CID 156125538
CID 156125538
CID 156206155
CID 156206155
CID 156206275
CID 156206275
CID 156223597
CID 156223597
CID 156898417
CID 156898417
CID 159331623
CID 159331623
CID 162743140
CID 162743140

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 164943188) is 6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is CC(C)OCC12CCCN1CC(F)(F)C2.
What is the InChIKey of 6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is UUHRYMGUKBDTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-9(2)15-8-10-4-3-5-14(10)7-11(12,13)6-10/h9H,3-8H2,1-2H3.
What are the key properties of 6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 219.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 164943188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).