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

C11H19F2NO — CID 163889606

IUPAC7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
SMILESCC(C)OCC12CCCN1CCC2(F)F
InChIInChI=1S/C11H19F2NO/c1-9(2)15-8-10-4-3-6-14(10)7-5-11(10,12)13/h9H,3-8H2,1-2H3
InChIKeyBWAZEERYIPKHSC-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.29
Rot. Bonds3

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

7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine (PubChem CID 163889606) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
PubChem CID163889606
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
SMILESCC(C)OCC12CCCN1CCC2(F)F
InChIInChI=1S/C11H19F2NO/c1-9(2)15-8-10-4-3-6-14(10)7-5-11(10,12)13/h9H,3-8H2,1-2H3
InChIKeyBWAZEERYIPKHSC-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

(6S,7aS)-6-ethyl-6-fluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470022
(7S,7aS)-7-ethyl-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470030
(6S,7aS)-6-fluoro-6-(fluoromethyl)-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470038
(6R,7S,7aS)-6-fluoro-7-(2-fluoroethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470039
(6S,7S,7aS)-6-fluoro-7-(2-fluoroethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470046
3-(Fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 156125538
6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 156206155
(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypoiodite
CID 156206275
6,6-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 156223597
2-Fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 156898417
6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 159331623
(2R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 162743140

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
The IUPAC name of 7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine (CID 163889606) is 7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine is CC(C)OCC12CCCN1CCC2(F)F.
What is the InChIKey of 7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
The InChIKey is BWAZEERYIPKHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-9(2)15-8-10-4-3-6-14(10)7-5-11(10,12)13/h9H,3-8H2,1-2H3.
What are the key properties of 7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-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 7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 163889606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).