2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine

C18H25F2N3O — CID 123193409

IUPAC2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine
SMILESCN1CCC2CN(C3COC(c4cc(F)ccc4F)C(N)C3)CC21
InChIInChI=1S/C18H25F2N3O/c1-22-5-4-11-8-23(9-17(11)22)13-7-16(21)18(24-10-13)14-6-12(19)2-3-15(14)20/h2-3,6,11,13,16-18H,4-5,7-10,21H2,1H3
InChIKeyIOVKORIAXDZEHF-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.76
Rot. Bonds2

About 2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine

2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine (PubChem CID 123193409) has the molecular formula C18H25F2N3O and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine
PubChem CID123193409
Molecular FormulaC18H25F2N3O
Molecular Weight337.41 g/mol
Exact Mass337.20
IUPAC Name2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine
SMILESCN1CCC2CN(C3COC(c4cc(F)ccc4F)C(N)C3)CC21
InChIInChI=1S/C18H25F2N3O/c1-22-5-4-11-8-23(9-17(11)22)13-7-16(21)18(24-10-13)14-6-12(19)2-3-15(14)20/h2-3,6,11,13,16-18H,4-5,7-10,21H2,1H3
InChIKeyIOVKORIAXDZEHF-UHFFFAOYSA-N
XLogP1.76
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine?
The IUPAC name of 2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine (CID 123193409) is 2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine?
The canonical SMILES for 2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine is CN1CCC2CN(C3COC(c4cc(F)ccc4F)C(N)C3)CC21.
What is the InChIKey of 2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine?
The InChIKey is IOVKORIAXDZEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O/c1-22-5-4-11-8-23(9-17(11)22)13-7-16(21)18(24-10-13)14-6-12(19)2-3-15(14)20/h2-3,6,11,13,16-18H,4-5,7-10,21H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine?
2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine has a molecular weight of 337.41 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)oxan-3-amine is sourced from PubChem (CID 123193409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).