1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one

C14H15F2NO3 — CID 139015316

IUPAC1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOC(c2c(F)cc(F)cc2OC)C1
InChIInChI=1S/C14H15F2NO3/c1-3-13(18)17-4-5-20-12(8-17)14-10(16)6-9(15)7-11(14)19-2/h3,6-7,12H,1,4-5,8H2,2H3
InChIKeyHJBHOCPFRVPDNY-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.06
Rot. Bonds3

About 1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one

1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one (PubChem CID 139015316) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one
PubChem CID139015316
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOC(c2c(F)cc(F)cc2OC)C1
InChIInChI=1S/C14H15F2NO3/c1-3-13(18)17-4-5-20-12(8-17)14-10(16)6-9(15)7-11(14)19-2/h3,6-7,12H,1,4-5,8H2,2H3
InChIKeyHJBHOCPFRVPDNY-UHFFFAOYSA-N
XLogP2.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid
CID 155956952
1-[(2S)-2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]morpholin-4-yl]prop-2-en-1-one
CID 172889905
[(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
CID 177184012
1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one
CID 126841376
1-[2-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one
CID 136572489
1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
CID 112727083
1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one
CID 172888077
1-(2-phenyl-1,4-oxazepan-4-yl)prop-2-en-1-one
CID 126814843
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
N-[4-[2-(2,4-difluorophenyl)morpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide
CID 166414107
tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate
CID 171653169
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one (CID 139015316) is 1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one is C=CC(=O)N1CCOC(c2c(F)cc(F)cc2OC)C1.
What is the InChIKey of 1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one?
The InChIKey is HJBHOCPFRVPDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-3-13(18)17-4-5-20-12(8-17)14-10(16)6-9(15)7-11(14)19-2/h3,6-7,12H,1,4-5,8H2,2H3.
What are the key properties of 1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one?
1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one has a molecular weight of 283.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 139015316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).