2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone

C14H18FNO3 — CID 81207945

IUPAC2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
SMILESCC1COC(CO)CN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-10-9-19-13(8-17)7-16(10)14(18)6-11-2-4-12(15)5-3-11/h2-5,10,13,17H,6-9H2,1H3
InChIKeyBVVHBURXQYSHHF-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.98
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone

2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone (PubChem CID 81207945) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
PubChem CID81207945
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
SMILESCC1COC(CO)CN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-10-9-19-13(8-17)7-16(10)14(18)6-11-2-4-12(15)5-3-11/h2-5,10,13,17H,6-9H2,1H3
InChIKeyBVVHBURXQYSHHF-UHFFFAOYSA-N
XLogP0.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 99703392
2-(2-chloro-4-fluorophenyl)-1-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 99703393
2-(4-fluorophenyl)-1-(5-methyl-2-phenylmorpholin-4-yl)ethanone
CID 110369331
3-(3,4-difluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81196608
(3R)-3-(2,4-difluorophenyl)-1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 97250606
3-(2,4-difluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 75436704
2-(2,3-dichlorophenyl)-1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 124741604
2-(2,3-dichlorophenyl)-1-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 124741603
2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 55213909
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
[4-fluoro-2-(trifluoromethyl)phenyl]-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 97157511
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone (CID 81207945) is 2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone is CC1COC(CO)CN1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The InChIKey is BVVHBURXQYSHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10-9-19-13(8-17)7-16(10)14(18)6-11-2-4-12(15)5-3-11/h2-5,10,13,17H,6-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone has a molecular weight of 267.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 81207945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).