2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one

C14H18FNO3 — CID 53286283

IUPAC2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one
SMILESCCC(Oc1ccccc1F)C(=O)N1CCOCC1
InChIInChI=1S/C14H18FNO3/c1-2-12(14(17)16-7-9-18-10-8-16)19-13-6-4-3-5-11(13)15/h3-6,12H,2,7-10H2,1H3
InChIKeyBBAIVSQYSXYYKM-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.84
Rot. Bonds4

About 2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one

2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one (PubChem CID 53286283) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one
PubChem CID53286283
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one
SMILESCCC(Oc1ccccc1F)C(=O)N1CCOCC1
InChIInChI=1S/C14H18FNO3/c1-2-12(14(17)16-7-9-18-10-8-16)19-13-6-4-3-5-11(13)15/h3-6,12H,2,7-10H2,1H3
InChIKeyBBAIVSQYSXYYKM-UHFFFAOYSA-N
XLogP1.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 9173669
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 119377005
1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166431
2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid
CID 125119092
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 119625530
1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 16677782
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 120808959
(2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 51593642
2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one
CID 154846394
2-(2-fluorophenoxy)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 136570836

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one (CID 53286283) is 2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one is CCC(Oc1ccccc1F)C(=O)N1CCOCC1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one?
The InChIKey is BBAIVSQYSXYYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-12(14(17)16-7-9-18-10-8-16)19-13-6-4-3-5-11(13)15/h3-6,12H,2,7-10H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one?
2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one has a molecular weight of 267.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 53286283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).