ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one

C18H28FNO3 — CID 170597012

IUPACethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one
SMILESCC.CCC(=O)Cc1ccc(OCCN2CCOCC2)cc1F
InChIInChI=1S/C16H22FNO3.C2H6/c1-2-14(19)11-13-3-4-15(12-16(13)17)21-10-7-18-5-8-20-9-6-18;1-2/h3-4,12H,2,5-11H2,1H3;1-2H3
InChIKeyOBUGNUUNWBGHAF-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.08
Rot. Bonds7

About ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one

ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one (PubChem CID 170597012) has the molecular formula C18H28FNO3 and a molecular weight of 325.42 g/mol. Its IUPAC name is ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one.

Molecular Properties

Compound Nameethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one
PubChem CID170597012
Molecular FormulaC18H28FNO3
Molecular Weight325.42 g/mol
Exact Mass325.21
IUPAC Nameethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one
SMILESCC.CCC(=O)Cc1ccc(OCCN2CCOCC2)cc1F
InChIInChI=1S/C16H22FNO3.C2H6/c1-2-14(19)11-13-3-4-15(12-16(13)17)21-10-7-18-5-8-20-9-6-18;1-2/h3-4,12H,2,5-11H2,1H3;1-2H3
InChIKeyOBUGNUUNWBGHAF-UHFFFAOYSA-N
XLogP3.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate
CID 169157068
methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate
CID 169157044
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine
CID 173296855
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 87674715
1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one?
The IUPAC name of ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one (CID 170597012) is ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one.
What is the SMILES notation for ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one?
The canonical SMILES for ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one is CC.CCC(=O)Cc1ccc(OCCN2CCOCC2)cc1F.
What is the InChIKey of ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one?
The InChIKey is OBUGNUUNWBGHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3.C2H6/c1-2-14(19)11-13-3-4-15(12-16(13)17)21-10-7-18-5-8-20-9-6-18;1-2/h3-4,12H,2,5-11H2,1H3;1-2H3.
What are the key properties of ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one?
ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one has a molecular weight of 325.42 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one is sourced from PubChem (CID 170597012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).