1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene

C14H11F3S — CID 122370139

IUPAC1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene
SMILESFC(F)(F)SCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H11F3S/c15-14(16,17)18-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyRGFXMRGKGCYTOF-UHFFFAOYSA-N
MW268.30 g/mol
LogP5.11
Rot. Bonds3

About 1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene

1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene (PubChem CID 122370139) has the molecular formula C14H11F3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene
PubChem CID122370139
Molecular FormulaC14H11F3S
Molecular Weight268.30 g/mol
Exact Mass268.05
IUPAC Name1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene
SMILESFC(F)(F)SCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H11F3S/c15-14(16,17)18-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyRGFXMRGKGCYTOF-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.30
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene?
The IUPAC name of 1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene (CID 122370139) is 1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene.
What is the SMILES notation for 1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene?
The canonical SMILES for 1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene is FC(F)(F)SCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene?
The InChIKey is RGFXMRGKGCYTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3S/c15-14(16,17)18-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene?
1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene has a molecular weight of 268.30 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(trifluoromethylsulfanylmethyl)benzene is sourced from PubChem (CID 122370139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).