[5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone

C12H11ClF3NOS — CID 146035488

IUPAC[5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc(Cl)ccc1C(F)(F)F)N1CCSCC1
InChIInChI=1S/C12H11ClF3NOS/c13-8-1-2-10(12(14,15)16)9(7-8)11(18)17-3-5-19-6-4-17/h1-2,7H,3-6H2
InChIKeyDRBYBKWUCRUVSM-UHFFFAOYSA-N
MW309.74 g/mol
LogP3.55
Rot. Bonds1

About [5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone

[5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone (PubChem CID 146035488) has the molecular formula C12H11ClF3NOS and a molecular weight of 309.74 g/mol. Its IUPAC name is [5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone
PubChem CID146035488
Molecular FormulaC12H11ClF3NOS
Molecular Weight309.74 g/mol
Exact Mass309.02
IUPAC Name[5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc(Cl)ccc1C(F)(F)F)N1CCSCC1
InChIInChI=1S/C12H11ClF3NOS/c13-8-1-2-10(12(14,15)16)9(7-8)11(18)17-3-5-19-6-4-17/h1-2,7H,3-6H2
InChIKeyDRBYBKWUCRUVSM-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone
CID 172647456
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165244
(3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone
CID 164891876
[3-bromo-4-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone
CID 176508144
2-amino-1-[4-[5-chloro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 87726181
[2-fluoro-3-(trifluoromethyl)phenyl]-(1,4-thiazepan-4-yl)methanone
CID 79885102
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 55558490
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
2-(thiomorpholine-4-carbonyl)benzoic acid
CID 14298712
thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 146080386

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone (CID 146035488) is [5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone is O=C(c1cc(Cl)ccc1C(F)(F)F)N1CCSCC1.
What is the InChIKey of [5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone?
The InChIKey is DRBYBKWUCRUVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NOS/c13-8-1-2-10(12(14,15)16)9(7-8)11(18)17-3-5-19-6-4-17/h1-2,7H,3-6H2.
What are the key properties of [5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone?
[5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone has a molecular weight of 309.74 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 146035488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).