trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane

C10H13F3S — CID 130344307

IUPACtrimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane
SMILESCS(C)(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H13F3S/c1-14(2,3)9-6-4-8(5-7-9)10(11,12)13/h4-7H,1-3H3
InChIKeyXDMKRXQDAXTQFY-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.76
Rot. Bonds1

About trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane

trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane (PubChem CID 130344307) has the molecular formula C10H13F3S and a molecular weight of 222.28 g/mol. Its IUPAC name is trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane
PubChem CID130344307
Molecular FormulaC10H13F3S
Molecular Weight222.28 g/mol
Exact Mass222.07
IUPAC Nametrimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane
SMILESCS(C)(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H13F3S/c1-14(2,3)9-6-4-8(5-7-9)10(11,12)13/h4-7H,1-3H3
InChIKeyXDMKRXQDAXTQFY-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
CID 25017943
1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene
CID 22917511
1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene
CID 91052710
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
[4-(trifluoromethyl)phenyl]sulfonylformonitrile
CID 105495691
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839
N-hydroxy-4-(trifluoromethyl)benzenesulfonamide
CID 24748525
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
CID 640457
CID 154390518
CID 154390518
2-[4-(trifluoromethyl)phenyl]sulfonylpropanoic acid
CID 58198696

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane?
The IUPAC name of trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane (CID 130344307) is trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane is CS(C)(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane?
The InChIKey is XDMKRXQDAXTQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3S/c1-14(2,3)9-6-4-8(5-7-9)10(11,12)13/h4-7H,1-3H3.
What are the key properties of trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane?
trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane has a molecular weight of 222.28 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane is sourced from PubChem (CID 130344307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).