1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene

C14H11F3OS — CID 22761249

IUPAC1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene
SMILESCOc1ccccc1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3OS/c1-18-12-7-2-3-8-13(12)19-11-6-4-5-10(9-11)14(15,16)17/h2-9H,1H3
InChIKeyPBCYKNNJVADDNG-UHFFFAOYSA-N
MW284.30 g/mol
LogP4.87
Rot. Bonds3

About 1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene

1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene (PubChem CID 22761249) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is 1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene
PubChem CID22761249
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Name1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene
SMILESCOc1ccccc1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3OS/c1-18-12-7-2-3-8-13(12)19-11-6-4-5-10(9-11)14(15,16)17/h2-9H,1H3
InChIKeyPBCYKNNJVADDNG-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene?
The IUPAC name of 1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene (CID 22761249) is 1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene.
What is the SMILES notation for 1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene?
The canonical SMILES for 1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene is COc1ccccc1Sc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene?
The InChIKey is PBCYKNNJVADDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3OS/c1-18-12-7-2-3-8-13(12)19-11-6-4-5-10(9-11)14(15,16)17/h2-9H,1H3.
What are the key properties of 1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene?
1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene has a molecular weight of 284.30 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene is sourced from PubChem (CID 22761249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).