trifluoro-(2-methylphenyl)-λ4-sulfane

C7H7F3S — CID 87179727

IUPACtrifluoro-(2-methylphenyl)-λ4-sulfane
SMILESCc1ccccc1S(F)(F)F
InChIInChI=1S/C7H7F3S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3
InChIKeyQITAUCRSAJZAME-UHFFFAOYSA-N
MW180.19 g/mol
LogP3.81
Rot. Bonds1

About trifluoro-(2-methylphenyl)-λ4-sulfane

trifluoro-(2-methylphenyl)-λ4-sulfane (PubChem CID 87179727) has the molecular formula C7H7F3S and a molecular weight of 180.19 g/mol. Its IUPAC name is trifluoro-(2-methylphenyl)-λ4-sulfane.

Molecular Properties

Compound Nametrifluoro-(2-methylphenyl)-λ4-sulfane
PubChem CID87179727
Molecular FormulaC7H7F3S
Molecular Weight180.19 g/mol
Exact Mass180.02
IUPAC Nametrifluoro-(2-methylphenyl)-λ4-sulfane
SMILESCc1ccccc1S(F)(F)F
InChIInChI=1S/C7H7F3S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3
InChIKeyQITAUCRSAJZAME-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trifluoro-(2-methylphenyl)-λ4-sulfane?
The IUPAC name of trifluoro-(2-methylphenyl)-λ4-sulfane (CID 87179727) is trifluoro-(2-methylphenyl)-λ4-sulfane.
What is the SMILES notation for trifluoro-(2-methylphenyl)-λ4-sulfane?
The canonical SMILES for trifluoro-(2-methylphenyl)-λ4-sulfane is Cc1ccccc1S(F)(F)F.
What is the InChIKey of trifluoro-(2-methylphenyl)-λ4-sulfane?
The InChIKey is QITAUCRSAJZAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3.
What are the key properties of trifluoro-(2-methylphenyl)-λ4-sulfane?
trifluoro-(2-methylphenyl)-λ4-sulfane has a molecular weight of 180.19 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(2-methylphenyl)-λ4-sulfane is sourced from PubChem (CID 87179727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).