1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene

C14H11F3OS — CID 134628507

IUPAC1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene
SMILESCSc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3OS/c1-19-13-8-4-11(5-9-13)10-2-6-12(7-3-10)18-14(15,16)17/h2-9H,1H3
InChIKeyJXAIXCUKVJNXLN-UHFFFAOYSA-N
MW284.30 g/mol
LogP4.97
Rot. Bonds3

About 1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene

1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 134628507) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is 1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID134628507
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Name1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene
SMILESCSc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3OS/c1-19-13-8-4-11(5-9-13)10-2-6-12(7-3-10)18-14(15,16)17/h2-9H,1H3
InChIKeyJXAIXCUKVJNXLN-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene (CID 134628507) is 1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene is CSc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is JXAIXCUKVJNXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3OS/c1-19-13-8-4-11(5-9-13)10-2-6-12(7-3-10)18-14(15,16)17/h2-9H,1H3.
What are the key properties of 1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene?
1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 284.30 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 134628507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).