(3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C10H17F2NO — CID 168880905

IUPAC(3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOC[C@]12CCCN1[C@@H](C(F)F)CC2
InChIInChI=1S/C10H17F2NO/c1-14-7-10-4-2-6-13(10)8(3-5-10)9(11)12/h8-9H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyIPDWEVPVJKMLJD-PSASIEDQSA-N
MW205.25 g/mol
LogP1.89
Rot. Bonds3

About (3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

(3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 168880905) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is (3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID168880905
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOC[C@]12CCCN1[C@@H](C(F)F)CC2
InChIInChI=1S/C10H17F2NO/c1-14-7-10-4-2-6-13(10)8(3-5-10)9(11)12/h8-9H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyIPDWEVPVJKMLJD-PSASIEDQSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 168880905) is (3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is COC[C@]12CCCN1[C@@H](C(F)F)CC2.
What is the InChIKey of (3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is IPDWEVPVJKMLJD-PSASIEDQSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-14-7-10-4-2-6-13(10)8(3-5-10)9(11)12/h8-9H,2-7H2,1H3/t8-,10-/m1/s1.
What are the key properties of (3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
(3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 205.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8R)-3-(difluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 168880905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).