3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene

C10H9F3O2S — CID 11747046

IUPAC3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene
SMILESC=C(CS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H9F3O2S/c1-8(9-5-3-2-4-6-9)7-16(14,15)10(11,12)13/h2-6H,1,7H2
InChIKeyRNDNTMIEIWLTFE-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.63
Rot. Bonds3

About 3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene

3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene (PubChem CID 11747046) has the molecular formula C10H9F3O2S and a molecular weight of 250.24 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene
PubChem CID11747046
Molecular FormulaC10H9F3O2S
Molecular Weight250.24 g/mol
Exact Mass250.03
IUPAC Name3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene
SMILESC=C(CS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H9F3O2S/c1-8(9-5-3-2-4-6-9)7-16(14,15)10(11,12)13/h2-6H,1,7H2
InChIKeyRNDNTMIEIWLTFE-UHFFFAOYSA-N
XLogP2.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene?
The IUPAC name of 3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene (CID 11747046) is 3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene.
What is the SMILES notation for 3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene?
The canonical SMILES for 3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene is C=C(CS(=O)(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene?
The InChIKey is RNDNTMIEIWLTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2S/c1-8(9-5-3-2-4-6-9)7-16(14,15)10(11,12)13/h2-6H,1,7H2.
What are the key properties of 3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene?
3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene has a molecular weight of 250.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene is sourced from PubChem (CID 11747046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).