2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone

C12H13ClFNOS — CID 116609601

IUPAC2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone
SMILESO=C(Cc1ccc(F)cc1Cl)C1CSCCN1
InChIInChI=1S/C12H13ClFNOS/c13-10-6-9(14)2-1-8(10)5-12(16)11-7-17-4-3-15-11/h1-2,6,11,15H,3-5,7H2
InChIKeyCSFGUJZNMIZQDA-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.30
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone

2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone (PubChem CID 116609601) has the molecular formula C12H13ClFNOS and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone
PubChem CID116609601
Molecular FormulaC12H13ClFNOS
Molecular Weight273.76 g/mol
Exact Mass273.04
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone
SMILESO=C(Cc1ccc(F)cc1Cl)C1CSCCN1
InChIInChI=1S/C12H13ClFNOS/c13-10-6-9(14)2-1-8(10)5-12(16)11-7-17-4-3-15-11/h1-2,6,11,15H,3-5,7H2
InChIKeyCSFGUJZNMIZQDA-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609447
2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609502
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088412
2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609666
N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909229
2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone
CID 116609599
(3-fluorophenyl)-thiomorpholin-3-ylmethanone
CID 116609632
2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone
CID 54573694
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482
1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 106871284
2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114967227
2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 65350801

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone (CID 116609601) is 2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone is O=C(Cc1ccc(F)cc1Cl)C1CSCCN1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone?
The InChIKey is CSFGUJZNMIZQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNOS/c13-10-6-9(14)2-1-8(10)5-12(16)11-7-17-4-3-15-11/h1-2,6,11,15H,3-5,7H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone?
2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone has a molecular weight of 273.76 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone is sourced from PubChem (CID 116609601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).