2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone

C15H21F2NO2S — CID 126703479

IUPAC2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone
SMILESCS(C)(C)c1ccc(C(F)(F)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H21F2NO2S/c1-21(2,3)13-6-4-12(5-7-13)15(16,17)14(19)18-8-10-20-11-9-18/h4-7H,8-11H2,1-3H3
InChIKeyUCCSSALLTZGFHN-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.69
Rot. Bonds3

About 2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone

2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone (PubChem CID 126703479) has the molecular formula C15H21F2NO2S and a molecular weight of 317.40 g/mol. Its IUPAC name is 2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone
PubChem CID126703479
Molecular FormulaC15H21F2NO2S
Molecular Weight317.40 g/mol
Exact Mass317.13
IUPAC Name2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone
SMILESCS(C)(C)c1ccc(C(F)(F)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H21F2NO2S/c1-21(2,3)13-6-4-12(5-7-13)15(16,17)14(19)18-8-10-20-11-9-18/h4-7H,8-11H2,1-3H3
InChIKeyUCCSSALLTZGFHN-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone?
The IUPAC name of 2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone (CID 126703479) is 2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone?
The canonical SMILES for 2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone is CS(C)(C)c1ccc(C(F)(F)C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone?
The InChIKey is UCCSSALLTZGFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2S/c1-21(2,3)13-6-4-12(5-7-13)15(16,17)14(19)18-8-10-20-11-9-18/h4-7H,8-11H2,1-3H3.
What are the key properties of 2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone?
2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone has a molecular weight of 317.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-morpholin-4-yl-2-[4-(trimethyl-λ4-sulfanyl)phenyl]ethanone is sourced from PubChem (CID 126703479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).