4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one

C11H12F3NOS — CID 173168296

IUPAC4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one
SMILESO=C1CSCCN1C1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H12F3NOS/c12-11(13,14)8-1-3-9(4-2-8)15-5-6-17-7-10(15)16/h1,3H,2,4-7H2
InChIKeyYSWUNKLIJLBJPZ-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.73
Rot. Bonds1

About 4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one

4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one (PubChem CID 173168296) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one
PubChem CID173168296
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one
SMILESO=C1CSCCN1C1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H12F3NOS/c12-11(13,14)8-1-3-9(4-2-8)15-5-6-17-7-10(15)16/h1,3H,2,4-7H2
InChIKeyYSWUNKLIJLBJPZ-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one?
The IUPAC name of 4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one (CID 173168296) is 4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one.
What is the SMILES notation for 4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one?
The canonical SMILES for 4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one is O=C1CSCCN1C1=CC=C(C(F)(F)F)CC1.
What is the InChIKey of 4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one?
The InChIKey is YSWUNKLIJLBJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOS/c12-11(13,14)8-1-3-9(4-2-8)15-5-6-17-7-10(15)16/h1,3H,2,4-7H2.
What are the key properties of 4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one?
4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one has a molecular weight of 263.28 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]thiomorpholin-3-one is sourced from PubChem (CID 173168296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).