(4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone

C12H20F2N2O2 — CID 120955507

IUPAC(4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone
SMILESCC(C)C1CN(C(=O)C2CC(F)(F)CN2)CCO1
InChIInChI=1S/C12H20F2N2O2/c1-8(2)10-6-16(3-4-18-10)11(17)9-5-12(13,14)7-15-9/h8-10,15H,3-7H2,1-2H3
InChIKeyQWWCUCBYNJGMMX-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.87
Rot. Bonds2

About (4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone

(4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone (PubChem CID 120955507) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is (4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone
PubChem CID120955507
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name(4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone
SMILESCC(C)C1CN(C(=O)C2CC(F)(F)CN2)CCO1
InChIInChI=1S/C12H20F2N2O2/c1-8(2)10-6-16(3-4-18-10)11(17)9-5-12(13,14)7-15-9/h8-10,15H,3-7H2,1-2H3
InChIKeyQWWCUCBYNJGMMX-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluoropyrrolidin-2-yl)-[2-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 120954833
(4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 77444038
2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone
CID 102543735
(1,4-dimethylpiperazin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone
CID 58469068
(4,4-difluoropyrrolidin-2-yl)-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)methanone
CID 120955019
(1-methylpiperidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone
CID 58468874
tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 75448497
1-[1-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone
CID 70777587
(4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 120955413
1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone
CID 58469536
1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one
CID 120954972
4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid
CID 122022926

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone?
The IUPAC name of (4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone (CID 120955507) is (4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone.
What is the SMILES notation for (4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone?
The canonical SMILES for (4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone is CC(C)C1CN(C(=O)C2CC(F)(F)CN2)CCO1.
What is the InChIKey of (4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone?
The InChIKey is QWWCUCBYNJGMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c1-8(2)10-6-16(3-4-18-10)11(17)9-5-12(13,14)7-15-9/h8-10,15H,3-7H2,1-2H3.
What are the key properties of (4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone?
(4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone has a molecular weight of 262.30 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone is sourced from PubChem (CID 120955507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).