(3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone

C11H10ClF2NOS — CID 164891876

IUPAC(3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc(F)c(Cl)c1F)N1CCSCC1
InChIInChI=1S/C11H10ClF2NOS/c12-9-8(13)2-1-7(10(9)14)11(16)15-3-5-17-6-4-15/h1-2H,3-6H2
InChIKeyOSFCCOYMYZTXJY-UHFFFAOYSA-N
MW277.72 g/mol
LogP2.81
Rot. Bonds1

About (3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone

(3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone (PubChem CID 164891876) has the molecular formula C11H10ClF2NOS and a molecular weight of 277.72 g/mol. Its IUPAC name is (3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone
PubChem CID164891876
Molecular FormulaC11H10ClF2NOS
Molecular Weight277.72 g/mol
Exact Mass277.01
IUPAC Name(3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc(F)c(Cl)c1F)N1CCSCC1
InChIInChI=1S/C11H10ClF2NOS/c12-9-8(13)2-1-7(10(9)14)11(16)15-3-5-17-6-4-15/h1-2H,3-6H2
InChIKeyOSFCCOYMYZTXJY-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone
CID 172647456
[5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone
CID 146035488
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165244
(2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone
CID 62650571
2-(thiomorpholine-4-carbonyl)benzoic acid
CID 14298712
[2-fluoro-3-(trifluoromethyl)phenyl]-(1,4-thiazepan-4-yl)methanone
CID 79885102
[(7R)-7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 99878673
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108536978
(3-amino-2-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 112575733
(3-bromo-2-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 103995516
thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone
CID 164512728

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone (CID 164891876) is (3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone is O=C(c1ccc(F)c(Cl)c1F)N1CCSCC1.
What is the InChIKey of (3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone?
The InChIKey is OSFCCOYMYZTXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NOS/c12-9-8(13)2-1-7(10(9)14)11(16)15-3-5-17-6-4-15/h1-2H,3-6H2.
What are the key properties of (3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone?
(3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone has a molecular weight of 277.72 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 164891876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).