imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane

C10H12F3NOS — CID 167284370

IUPACimino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane
SMILES[H]N=S(=O)(c1ccc(C(C)C)cc1)C(F)(F)F
InChIInChI=1S/C10H12F3NOS/c1-7(2)8-3-5-9(6-4-8)16(14,15)10(11,12)13/h3-7,14H,1-2H3
InChIKeyCLLBRCKEYGOAIM-UHFFFAOYSA-N
MW251.27 g/mol
LogP3.74
Rot. Bonds2

About imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane

imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane (PubChem CID 167284370) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane.

Molecular Properties

Compound Nameimino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane
PubChem CID167284370
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Nameimino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane
SMILES[H]N=S(=O)(c1ccc(C(C)C)cc1)C(F)(F)F
InChIInChI=1S/C10H12F3NOS/c1-7(2)8-3-5-9(6-4-8)16(14,15)10(11,12)13/h3-7,14H,1-2H3
InChIKeyCLLBRCKEYGOAIM-UHFFFAOYSA-N
XLogP3.74
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane
CID 15587414
4-propan-2-ylphenol;trifluoromethanesulfonate
CID 91607276
trifluoromethyl 4-propan-2-ylbenzenesulfonate
CID 175209424
carbanylium;(4-propan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide
CID 158994806
bis(4-propan-2-ylphenyl)iodanium;trifluoromethanesulfonate
CID 158145244
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene
CID 57430781
(4-propan-2-ylphenyl)sulfonylformyl iodide
CID 166727285
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
CID 12648459
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43625045

Frequently Asked Questions

What is the IUPAC name of imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane?
The IUPAC name of imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane (CID 167284370) is imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane.
What is the SMILES notation for imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane?
The canonical SMILES for imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane is [H]N=S(=O)(c1ccc(C(C)C)cc1)C(F)(F)F.
What is the InChIKey of imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane?
The InChIKey is CLLBRCKEYGOAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c1-7(2)8-3-5-9(6-4-8)16(14,15)10(11,12)13/h3-7,14H,1-2H3.
What are the key properties of imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane?
imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane has a molecular weight of 251.27 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane is sourced from PubChem (CID 167284370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).