1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one

C14H16FNO2 — CID 112727083

IUPAC1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
SMILESCC=CC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H16FNO2/c1-2-3-14(17)16-8-9-18-13(10-16)11-4-6-12(15)7-5-11/h2-7,13H,8-10H2,1H3
InChIKeyYOBSQSYQHYJNFD-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.30
Rot. Bonds2

About 1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one

1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one (PubChem CID 112727083) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
PubChem CID112727083
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
SMILESCC=CC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H16FNO2/c1-2-3-14(17)16-8-9-18-13(10-16)11-4-6-12(15)7-5-11/h2-7,13H,8-10H2,1H3
InChIKeyYOBSQSYQHYJNFD-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylmorpholin-4-yl)but-2-en-1-one
CID 112727078
N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 134044371
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
(E)-3-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one
CID 134044150
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
(E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one
CID 18723464
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 60964272
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one (CID 112727083) is 1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one is CC=CC(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one?
The InChIKey is YOBSQSYQHYJNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-2-3-14(17)16-8-9-18-13(10-16)11-4-6-12(15)7-5-11/h2-7,13H,8-10H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one?
1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one has a molecular weight of 249.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one is sourced from PubChem (CID 112727083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).