[3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone

C14H17F2NO3 — CID 51077390

IUPAC[3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(OC(F)F)c2)C(C)CO1
InChIInChI=1S/C14H17F2NO3/c1-9-8-19-10(2)7-17(9)13(18)11-4-3-5-12(6-11)20-14(15)16/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyAHYLZFHCRAPQLX-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.54
Rot. Bonds3

About [3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone

[3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 51077390) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID51077390
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name[3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(OC(F)F)c2)C(C)CO1
InChIInChI=1S/C14H17F2NO3/c1-9-8-19-10(2)7-17(9)13(18)11-4-3-5-12(6-11)20-14(15)16/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyAHYLZFHCRAPQLX-UHFFFAOYSA-N
XLogP2.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
CID 47163087
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
[4-[3-(difluoromethoxy)benzoyl]-3-methylpiperazin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 112811910
(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 51077388
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 94051440
[4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81198572
3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 94051447
[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 78783741
4-[3-(difluoromethoxy)benzoyl]-3-methylpiperazine-2,6-dione
CID 66061530
(2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60817027
[2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 102938275

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone (CID 51077390) is [3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cccc(OC(F)F)c2)C(C)CO1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is AHYLZFHCRAPQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-9-8-19-10(2)7-17(9)13(18)11-4-3-5-12(6-11)20-14(15)16/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of [3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone?
[3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 285.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 51077390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).