ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone

C15H22FNO2 — CID 177031956

IUPACethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone
SMILESCC.CC(=O)c1c(C)cc(N2CCOCC2)cc1F
InChIInChI=1S/C13H16FNO2.C2H6/c1-9-7-11(15-3-5-17-6-4-15)8-12(14)13(9)10(2)16;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyDIQDULRDVHVNDX-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.20
Rot. Bonds2

About ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone

ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone (PubChem CID 177031956) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Nameethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone
PubChem CID177031956
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Nameethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone
SMILESCC.CC(=O)c1c(C)cc(N2CCOCC2)cc1F
InChIInChI=1S/C13H16FNO2.C2H6/c1-9-7-11(15-3-5-17-6-4-15)8-12(14)13(9)10(2)16;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyDIQDULRDVHVNDX-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane
CID 170587481
2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde
CID 170587273
2,3-dimethyl-5-morpholin-4-ylbenzoic acid
CID 79694761
ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate
CID 86699744
2-(3,4-difluorophenyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide
CID 11574057
2,6-difluoro-4-[(2S)-2-methylmorpholin-4-yl]benzoic acid
CID 146567123
2-fluoro-6-methyl-4-[3-(trifluoromethyl)morpholin-4-yl]benzoic acid
CID 146567234
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 106880851
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone?
The IUPAC name of ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone (CID 177031956) is ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone.
What is the SMILES notation for ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone?
The canonical SMILES for ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone is CC.CC(=O)c1c(C)cc(N2CCOCC2)cc1F.
What is the InChIKey of ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone?
The InChIKey is DIQDULRDVHVNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2.C2H6/c1-9-7-11(15-3-5-17-6-4-15)8-12(14)13(9)10(2)16;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone?
ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone has a molecular weight of 267.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 177031956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).