1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone

C12H13ClFNO2 — CID 105396502

IUPAC1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)c1cc(F)ccc1Cl
InChIInChI=1S/C12H13ClFNO2/c13-11-2-1-8(14)5-10(11)12(16)6-9-7-15-3-4-17-9/h1-2,5,9,15H,3-4,6-7H2
InChIKeyIZMFYJPSRNVVMZ-UHFFFAOYSA-N
MW257.69 g/mol
LogP2.04
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone

1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone (PubChem CID 105396502) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone
PubChem CID105396502
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)c1cc(F)ccc1Cl
InChIInChI=1S/C12H13ClFNO2/c13-11-2-1-8(14)5-10(11)12(16)6-9-7-15-3-4-17-9/h1-2,5,9,15H,3-4,6-7H2
InChIKeyIZMFYJPSRNVVMZ-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116586161
N-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 113266175
1-(4-chlorophenyl)-2-morpholin-2-ylethanone
CID 116586223
1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone
CID 116586217
1-(5-bromo-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116919972
N-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylacetamide
CID 66432981
N-(3,4-dichlorophenyl)-2-morpholin-2-ylacetamide
CID 66435697
N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 103808527
2-bromo-5-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287115
methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate
CID 66428476
4-fluoro-2-hydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107016017
N-(3,5-difluorophenyl)-2-morpholin-2-ylacetamide
CID 66433764

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone (CID 105396502) is 1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone is O=C(CC1CNCCO1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone?
The InChIKey is IZMFYJPSRNVVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-11-2-1-8(14)5-10(11)12(16)6-9-7-15-3-4-17-9/h1-2,5,9,15H,3-4,6-7H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone?
1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone has a molecular weight of 257.69 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone is sourced from PubChem (CID 105396502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).