(4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone

C12H21F2N3O2 — CID 120954833

IUPAC(4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone
SMILESCN(C)CC1CN(C(=O)C2CC(F)(F)CN2)CCO1
InChIInChI=1S/C12H21F2N3O2/c1-16(2)6-9-7-17(3-4-19-9)11(18)10-5-12(13,14)8-15-10/h9-10,15H,3-8H2,1-2H3
InChIKeyRFKGPGAVHDHHRZ-UHFFFAOYSA-N
MW277.31 g/mol
LogP-0.23
Rot. Bonds3

About (4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone

(4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone (PubChem CID 120954833) has the molecular formula C12H21F2N3O2 and a molecular weight of 277.31 g/mol. Its IUPAC name is (4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone
PubChem CID120954833
Molecular FormulaC12H21F2N3O2
Molecular Weight277.31 g/mol
Exact Mass277.16
IUPAC Name(4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone
SMILESCN(C)CC1CN(C(=O)C2CC(F)(F)CN2)CCO1
InChIInChI=1S/C12H21F2N3O2/c1-16(2)6-9-7-17(3-4-19-9)11(18)10-5-12(13,14)8-15-10/h9-10,15H,3-8H2,1-2H3
InChIKeyRFKGPGAVHDHHRZ-UHFFFAOYSA-N
XLogP-0.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone?
The IUPAC name of (4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone (CID 120954833) is (4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone is CN(C)CC1CN(C(=O)C2CC(F)(F)CN2)CCO1.
What is the InChIKey of (4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone?
The InChIKey is RFKGPGAVHDHHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3O2/c1-16(2)6-9-7-17(3-4-19-9)11(18)10-5-12(13,14)8-15-10/h9-10,15H,3-8H2,1-2H3.
What are the key properties of (4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone?
(4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone has a molecular weight of 277.31 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 120954833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).