1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene

C10H11F3O2S — CID 22953626

IUPAC1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene
SMILESCC(C)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H11F3O2S/c1-7(2)16(14,15)9-6-4-3-5-8(9)10(11,12)13/h3-7H,1-2H3
InChIKeyWUQZKZLJKRXXRU-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.89
Rot. Bonds2

About 1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene

1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene (PubChem CID 22953626) has the molecular formula C10H11F3O2S and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene
PubChem CID22953626
Molecular FormulaC10H11F3O2S
Molecular Weight252.26 g/mol
Exact Mass252.04
IUPAC Name1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene
SMILESCC(C)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H11F3O2S/c1-7(2)16(14,15)9-6-4-3-5-8(9)10(11,12)13/h3-7H,1-2H3
InChIKeyWUQZKZLJKRXXRU-UHFFFAOYSA-N
XLogP2.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Fluoresone
CID 71814
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
Benzothiophene 1,1-dioxide
CID 69997
alpha-(Methylsulphonyl)toluene
CID 76562
Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
P-Tolyl vinyl sulfone
CID 79665
Phenyl trans-Styryl Sulfone
CID 736143
p-Tolyl methyl sulfone
CID 18521
((3-Phenylpropyl)sulfonyl)benzene
CID 97180
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
Benzo(b)thiophene 1,1-dioxide, 3-methyl-
CID 138741

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene (CID 22953626) is 1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene is CC(C)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene?
The InChIKey is WUQZKZLJKRXXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2S/c1-7(2)16(14,15)9-6-4-3-5-8(9)10(11,12)13/h3-7H,1-2H3.
What are the key properties of 1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene?
1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene has a molecular weight of 252.26 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 22953626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).