2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone

C18H23F2NO3 — CID 129372681

IUPAC2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone
SMILESO=C(COC1CCCCC1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C18H23F2NO3/c19-12-6-7-16(20)15(8-12)17-9-13(22)10-21(17)18(23)11-24-14-4-2-1-3-5-14/h6-8,13-14,17,22H,1-5,9-11H2/t13-,17-/m1/s1
InChIKeyJAQIQNOYKMIKLT-CXAGYDPISA-N
MW339.38 g/mol
LogP2.95
Rot. Bonds4

About 2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone

2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 129372681) has the molecular formula C18H23F2NO3 and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone
PubChem CID129372681
Molecular FormulaC18H23F2NO3
Molecular Weight339.38 g/mol
Exact Mass339.16
IUPAC Name2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone
SMILESO=C(COC1CCCCC1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C18H23F2NO3/c19-12-6-7-16(20)15(8-12)17-9-13(22)10-21(17)18(23)11-24-14-4-2-1-3-5-14/h6-8,13-14,17,22H,1-5,9-11H2/t13-,17-/m1/s1
InChIKeyJAQIQNOYKMIKLT-CXAGYDPISA-N
XLogP2.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone (CID 129372681) is 2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone is O=C(COC1CCCCC1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of 2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is JAQIQNOYKMIKLT-CXAGYDPISA-N. The full InChI is InChI=1S/C18H23F2NO3/c19-12-6-7-16(20)15(8-12)17-9-13(22)10-21(17)18(23)11-24-14-4-2-1-3-5-14/h6-8,13-14,17,22H,1-5,9-11H2/t13-,17-/m1/s1.
What are the key properties of 2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone?
2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 339.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129372681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).