6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine

C18H29F3N2O2 — CID 175614527

IUPAC6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCOCC12CCCN1C(COCC13CCCN1CC(F)(F)C3)C(F)C2
InChIInChI=1S/C18H29F3N2O2/c1-24-12-16-4-3-7-23(16)15(14(19)8-16)9-25-13-17-5-2-6-22(17)11-18(20,21)10-17/h14-15H,2-13H2,1H3
InChIKeyWJBMKPFVOIDHHW-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.47
Rot. Bonds6

About 6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine

6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 175614527) has the molecular formula C18H29F3N2O2 and a molecular weight of 362.44 g/mol. Its IUPAC name is 6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID175614527
Molecular FormulaC18H29F3N2O2
Molecular Weight362.44 g/mol
Exact Mass362.22
IUPAC Name6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCOCC12CCCN1C(COCC13CCCN1CC(F)(F)C3)C(F)C2
InChIInChI=1S/C18H29F3N2O2/c1-24-12-16-4-3-7-23(16)15(14(19)8-16)9-25-13-17-5-2-6-22(17)11-18(20,21)10-17/h14-15H,2-13H2,1H3
InChIKeyWJBMKPFVOIDHHW-UHFFFAOYSA-N
XLogP2.47
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 175614527) is 6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine is COCC12CCCN1C(COCC13CCCN1CC(F)(F)C3)C(F)C2.
What is the InChIKey of 6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is WJBMKPFVOIDHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F3N2O2/c1-24-12-16-4-3-7-23(16)15(14(19)8-16)9-25-13-17-5-2-6-22(17)11-18(20,21)10-17/h14-15H,2-13H2,1H3.
What are the key properties of 6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine?
6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 362.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-8-[[2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 175614527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).