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

C12H21F2NO — CID 166489602

IUPAC(8R)-8-(butan-2-yloxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCC(C)OC[C@]12CCCN1CC(F)(F)C2
InChIInChI=1S/C12H21F2NO/c1-3-10(2)16-9-11-5-4-6-15(11)8-12(13,14)7-11/h10H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyYMPYRFGHJIKGGX-RRKGBCIJSA-N
MW233.30 g/mol
LogP2.68
Rot. Bonds4

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

(8R)-8-(butan-2-yloxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 166489602) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is (8R)-8-(butan-2-yloxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(8R)-8-(butan-2-yloxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID166489602
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name(8R)-8-(butan-2-yloxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCC(C)OC[C@]12CCCN1CC(F)(F)C2
InChIInChI=1S/C12H21F2NO/c1-3-10(2)16-9-11-5-4-6-15(11)8-12(13,14)7-11/h10H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyYMPYRFGHJIKGGX-RRKGBCIJSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.68
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 (8R)-8-(butan-2-yloxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (8R)-8-(butan-2-yloxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 166489602) is (8R)-8-(butan-2-yloxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (8R)-8-(butan-2-yloxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (8R)-8-(butan-2-yloxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine is CCC(C)OC[C@]12CCCN1CC(F)(F)C2.
What is the InChIKey of (8R)-8-(butan-2-yloxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is YMPYRFGHJIKGGX-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-3-10(2)16-9-11-5-4-6-15(11)8-12(13,14)7-11/h10H,3-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (8R)-8-(butan-2-yloxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine?
(8R)-8-(butan-2-yloxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 233.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(butan-2-yloxymethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 166489602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).