2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone

C12H13ClFNO2 — CID 116561773

IUPAC2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone
SMILESO=C(Cc1cccc(F)c1Cl)C1CNCCO1
InChIInChI=1S/C12H13ClFNO2/c13-12-8(2-1-3-9(12)14)6-10(16)11-7-15-4-5-17-11/h1-3,11,15H,4-7H2
InChIKeyMIFNHGNDZYHNJD-UHFFFAOYSA-N
MW257.69 g/mol
LogP1.58
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone

2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone (PubChem CID 116561773) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone
PubChem CID116561773
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone
SMILESO=C(Cc1cccc(F)c1Cl)C1CNCCO1
InChIInChI=1S/C12H13ClFNO2/c13-12-8(2-1-3-9(12)14)6-10(16)11-7-15-4-5-17-11/h1-3,11,15H,4-7H2
InChIKeyMIFNHGNDZYHNJD-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-morpholin-2-ylethanone
CID 116561676
2-(4-hydroxyphenyl)-1-morpholin-2-ylethanone
CID 116561735
2-(3,4-dichlorophenyl)-1-morpholin-2-ylethanone
CID 116561578
2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone
CID 116561614
2-(furan-2-yl)-1-morpholin-2-ylethanone
CID 116561702
2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 112653344
2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609666
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119682474
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 112653355
2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone
CID 175010779
2-(3-fluoro-4-nitrophenyl)-1-morpholin-2-ylethanone
CID 175008765
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119756657

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone (CID 116561773) is 2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone is O=C(Cc1cccc(F)c1Cl)C1CNCCO1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone?
The InChIKey is MIFNHGNDZYHNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-12-8(2-1-3-9(12)14)6-10(16)11-7-15-4-5-17-11/h1-3,11,15H,4-7H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone?
2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone has a molecular weight of 257.69 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone is sourced from PubChem (CID 116561773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).