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

C12H13ClFNOS — CID 116609666

IUPAC2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone
SMILESO=C(Cc1cccc(F)c1Cl)C1CSCCN1
InChIInChI=1S/C12H13ClFNOS/c13-12-8(2-1-3-9(12)14)6-11(16)10-7-17-5-4-15-10/h1-3,10,15H,4-7H2
InChIKeyJTXKEVFMXHANFI-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.30
Rot. Bonds3

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

2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone (PubChem CID 116609666) has the molecular formula C12H13ClFNOS and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone
PubChem CID116609666
Molecular FormulaC12H13ClFNOS
Molecular Weight273.76 g/mol
Exact Mass273.04
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone
SMILESO=C(Cc1cccc(F)c1Cl)C1CSCCN1
InChIInChI=1S/C12H13ClFNOS/c13-12-8(2-1-3-9(12)14)6-11(16)10-7-17-5-4-15-10/h1-3,10,15H,4-7H2
InChIKeyJTXKEVFMXHANFI-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-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609601
2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609447
2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone
CID 116609599
2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609502
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 112653355
2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone
CID 116561773
N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82905900
2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone
CID 112653394
2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone
CID 107311274
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 112653344
(7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone
CID 114737342

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone (CID 116609666) is 2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone is O=C(Cc1cccc(F)c1Cl)C1CSCCN1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone?
The InChIKey is JTXKEVFMXHANFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNOS/c13-12-8(2-1-3-9(12)14)6-11(16)10-7-17-5-4-15-10/h1-3,10,15H,4-7H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone?
2-(2-chloro-3-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-3-fluorophenyl)-1-thiomorpholin-3-ylethanone is sourced from PubChem (CID 116609666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).