2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone

C12H13ClFNO2 — CID 974102

IUPAC2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCOCC1
InChIInChI=1S/C12H13ClFNO2/c13-10-2-1-3-11(14)9(10)8-12(16)15-4-6-17-7-5-15/h1-3H,4-8H2
InChIKeyXOXQYXHAXHHCFZ-UHFFFAOYSA-N
MW257.69 g/mol
LogP1.88
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone

2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone (PubChem CID 974102) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone
PubChem CID974102
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCOCC1
InChIInChI=1S/C12H13ClFNO2/c13-10-2-1-3-11(14)9(10)8-12(16)15-4-6-17-7-5-15/h1-3H,4-8H2
InChIKeyXOXQYXHAXHHCFZ-UHFFFAOYSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloro-1-(morpholin-4-yl)-2-phenylethan-1-one
CID 4962514
4-(2-Chlorobenzoyl)-morpholine
CID 225451
2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanone
CID 1124089
2-(2-Chlorophenyl)-1-morpholin-4-ylethanone
CID 1245975
Cb-813
CID 208688
methyl 2-[2-(2,6-dichlorophenyl)-N-methylacetamido]acetate
CID 43407394
2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 1094119
2-(3,4-Dichlorophenyl)-1-morpholino-1-ethanone
CID 1485657
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16289650
2-(2-Chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone
CID 974099
2-(4-Fluorophenyl)-1-(morpholin-4-yl)ethan-1-one
CID 798469
N-(4-Chlorobenzoyl)morpholine
CID 225452

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone (CID 974102) is 2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone is O=C(Cc1c(F)cccc1Cl)N1CCOCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone?
The InChIKey is XOXQYXHAXHHCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-10-2-1-3-11(14)9(10)8-12(16)15-4-6-17-7-5-15/h1-3H,4-8H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone?
2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone has a molecular weight of 257.69 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 974102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).