(2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine

C19H21F2N3O — CID 121493763

IUPAC(2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
SMILESFc1ccc(C2CC(c3ccc([C@@H]4CNCCO4)cc3)NN2)c(F)c1
InChIInChI=1S/C19H21F2N3O/c20-14-5-6-15(16(21)9-14)18-10-17(23-24-18)12-1-3-13(4-2-12)19-11-22-7-8-25-19/h1-6,9,17-19,22-24H,7-8,10-11H2/t17?,18?,19-/m0/s1
InChIKeyZKKBAESRODUKLX-ACBHZAAOSA-N
MW345.39 g/mol
LogP2.91
Rot. Bonds3

About (2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine

(2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine (PubChem CID 121493763) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is (2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
PubChem CID121493763
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name(2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
SMILESFc1ccc(C2CC(c3ccc([C@@H]4CNCCO4)cc3)NN2)c(F)c1
InChIInChI=1S/C19H21F2N3O/c20-14-5-6-15(16(21)9-14)18-10-17(23-24-18)12-1-3-13(4-2-12)19-11-22-7-8-25-19/h1-6,9,17-19,22-24H,7-8,10-11H2/t17?,18?,19-/m0/s1
InChIKeyZKKBAESRODUKLX-ACBHZAAOSA-N
XLogP2.91
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine?
The IUPAC name of (2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine (CID 121493763) is (2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine.
What is the SMILES notation for (2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine?
The canonical SMILES for (2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine is Fc1ccc(C2CC(c3ccc([C@@H]4CNCCO4)cc3)NN2)c(F)c1.
What is the InChIKey of (2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine?
The InChIKey is ZKKBAESRODUKLX-ACBHZAAOSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-14-5-6-15(16(21)9-14)18-10-17(23-24-18)12-1-3-13(4-2-12)19-11-22-7-8-25-19/h1-6,9,17-19,22-24H,7-8,10-11H2/t17?,18?,19-/m0/s1.
What are the key properties of (2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine?
(2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine has a molecular weight of 345.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine is sourced from PubChem (CID 121493763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).