(2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone

C18H17F2NOS — CID 24724541

IUPAC(2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCSCC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H17F2NOS/c19-15-5-6-16(17(20)11-15)18(22)14-3-1-13(2-4-14)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12H2
InChIKeyGVHNDGSZSKRFPJ-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.74
Rot. Bonds4

About (2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone

(2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone (PubChem CID 24724541) has the molecular formula C18H17F2NOS and a molecular weight of 333.40 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
PubChem CID24724541
Molecular FormulaC18H17F2NOS
Molecular Weight333.40 g/mol
Exact Mass333.10
IUPAC Name(2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCSCC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H17F2NOS/c19-15-5-6-16(17(20)11-15)18(22)14-3-1-13(2-4-14)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12H2
InChIKeyGVHNDGSZSKRFPJ-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone (CID 24724541) is (2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is GVHNDGSZSKRFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NOS/c19-15-5-6-16(17(20)11-15)18(22)14-3-1-13(2-4-14)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12H2.
What are the key properties of (2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone?
(2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 333.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).