(2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone

C18H24F2N2O2 — CID 94813326

IUPAC(2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
SMILESC[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(F)cc2F)C[C@@H](C)O1
InChIInChI=1S/C18H24F2N2O2/c1-12-9-21(10-13(2)24-12)11-15-4-3-7-22(15)18(23)16-6-5-14(19)8-17(16)20/h5-6,8,12-13,15H,3-4,7,9-11H2,1-2H3/t12-,13-,15+/m1/s1
InChIKeyDTPFMTWZPWGXOV-NFAWXSAZSA-N
MW338.40 g/mol
LogP2.68
Rot. Bonds3

About (2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone

(2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 94813326) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
PubChem CID94813326
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name(2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
SMILESC[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(F)cc2F)C[C@@H](C)O1
InChIInChI=1S/C18H24F2N2O2/c1-12-9-21(10-13(2)24-12)11-15-4-3-7-22(15)18(23)16-6-5-14(19)8-17(16)20/h5-6,8,12-13,15H,3-4,7,9-11H2,1-2H3/t12-,13-,15+/m1/s1
InChIKeyDTPFMTWZPWGXOV-NFAWXSAZSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone (CID 94813326) is (2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone is C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(F)cc2F)C[C@@H](C)O1.
What is the InChIKey of (2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is DTPFMTWZPWGXOV-NFAWXSAZSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-12-9-21(10-13(2)24-12)11-15-4-3-7-22(15)18(23)16-6-5-14(19)8-17(16)20/h5-6,8,12-13,15H,3-4,7,9-11H2,1-2H3/t12-,13-,15+/m1/s1.
What are the key properties of (2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone?
(2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 338.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 94813326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).