3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene

C6H9F3O2S — CID 129118270

IUPAC3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene
SMILESC=C(C(F)(F)F)S(=O)(=O)C(C)C
InChIInChI=1S/C6H9F3O2S/c1-4(2)12(10,11)5(3)6(7,8)9/h4H,3H2,1-2H3
InChIKeyOJJMXTXYRIZZDL-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.89
Rot. Bonds2

About 3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene

3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene (PubChem CID 129118270) has the molecular formula C6H9F3O2S and a molecular weight of 202.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene.

Molecular Properties

Compound Name3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene
PubChem CID129118270
Molecular FormulaC6H9F3O2S
Molecular Weight202.20 g/mol
Exact Mass202.03
IUPAC Name3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene
SMILESC=C(C(F)(F)F)S(=O)(=O)C(C)C
InChIInChI=1S/C6H9F3O2S/c1-4(2)12(10,11)5(3)6(7,8)9/h4H,3H2,1-2H3
InChIKeyOJJMXTXYRIZZDL-UHFFFAOYSA-N
XLogP1.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene?
The IUPAC name of 3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene (CID 129118270) is 3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene.
What is the SMILES notation for 3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene?
The canonical SMILES for 3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene is C=C(C(F)(F)F)S(=O)(=O)C(C)C.
What is the InChIKey of 3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene?
The InChIKey is OJJMXTXYRIZZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2S/c1-4(2)12(10,11)5(3)6(7,8)9/h4H,3H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene?
3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene has a molecular weight of 202.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-propan-2-ylsulfonylprop-1-ene is sourced from PubChem (CID 129118270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).