3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene

C6H4F6O2S — CID 87320290

IUPAC3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene
SMILESO=S(=O)(C=CC(F)(F)F)C=CC(F)(F)F
InChIInChI=1S/C6H4F6O2S/c7-5(8,9)1-3-15(13,14)4-2-6(10,11)12/h1-4H
InChIKeyQHMHCKYKPLIQTP-UHFFFAOYSA-N
MW254.15 g/mol
LogP2.55
Rot. Bonds2

About 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene

3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene (PubChem CID 87320290) has the molecular formula C6H4F6O2S and a molecular weight of 254.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene
PubChem CID87320290
Molecular FormulaC6H4F6O2S
Molecular Weight254.15 g/mol
Exact Mass253.98
IUPAC Name3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene
SMILESO=S(=O)(C=CC(F)(F)F)C=CC(F)(F)F
InChIInChI=1S/C6H4F6O2S/c7-5(8,9)1-3-15(13,14)4-2-6(10,11)12/h1-4H
InChIKeyQHMHCKYKPLIQTP-UHFFFAOYSA-N
XLogP2.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,2,2,3,3,4,4-Nonafluoro-4-(prop-1-ene-1-sulfonyl)butane
CID 71369456
1,1,1,3,3,3-Hexafluoro-2-prop-2-enylsulfonylpropane
CID 13542549
1-(Trifluoromethylsulfonyl)buta-1,2-diene
CID 102376143
3,3,3-Trifluoro-1-methanesulfonylpropene
CID 162368554
3-(Trifluoromethanesulfonyl)prop-1-ene
CID 12598646
2-Ethenylsulfonyl-1,1,1,3,3,3-hexafluoropropane
CID 20811114
1-(Trifluoromethylsulfonyl)buta-1,3-diene
CID 53679438
1-(Trifluoromethanesulfonyl)prop-1-ene
CID 71392116
3-(3,3-Difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene
CID 87932910
1,1,3-Trifluoro-3-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-1-ene
CID 88007185
Prop-2-enylsulfanyl trifluoromethanesulfonate
CID 88305751
3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfonylprop-1-ene
CID 88429612

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene?
The IUPAC name of 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene (CID 87320290) is 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene.
What is the SMILES notation for 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene?
The canonical SMILES for 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene is O=S(=O)(C=CC(F)(F)F)C=CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene?
The InChIKey is QHMHCKYKPLIQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6O2S/c7-5(8,9)1-3-15(13,14)4-2-6(10,11)12/h1-4H.
What are the key properties of 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene?
3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene has a molecular weight of 254.15 g/mol, XLogP of 2.55, 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-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene is sourced from PubChem (CID 87320290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).