3,3,3-trifluoro-1-methylsulfonylprop-1-ene

C4H5F3O2S — CID 162368554

IUPAC3,3,3-trifluoro-1-methylsulfonylprop-1-ene
SMILESCS(=O)(=O)C=CC(F)(F)F
InChIInChI=1S/C4H5F3O2S/c1-10(8,9)3-2-4(5,6)7/h2-3H,1H3
InChIKeyTZXFQEXPZOPPTM-UHFFFAOYSA-N
MW174.14 g/mol
LogP1.11
Rot. Bonds1

About 3,3,3-trifluoro-1-methylsulfonylprop-1-ene

3,3,3-trifluoro-1-methylsulfonylprop-1-ene (PubChem CID 162368554) has the molecular formula C4H5F3O2S and a molecular weight of 174.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-methylsulfonylprop-1-ene.

Molecular Properties

Compound Name3,3,3-trifluoro-1-methylsulfonylprop-1-ene
PubChem CID162368554
Molecular FormulaC4H5F3O2S
Molecular Weight174.14 g/mol
Exact Mass174.00
IUPAC Name3,3,3-trifluoro-1-methylsulfonylprop-1-ene
SMILESCS(=O)(=O)C=CC(F)(F)F
InChIInChI=1S/C4H5F3O2S/c1-10(8,9)3-2-4(5,6)7/h2-3H,1H3
InChIKeyTZXFQEXPZOPPTM-UHFFFAOYSA-N
XLogP1.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 51.11
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
3-Methyl-1-(trifluoromethylsulfonyl)buta-1,2-diene
CID 16655518
1-(Trifluoromethylsulfonyl)buta-1,2-diene
CID 102376143
3-(Trifluoromethanesulfonyl)prop-1-ene
CID 12598646
1-(Trifluoromethylsulfonyl)buta-1,3-diene
CID 53679438
1-(Trifluoromethanesulfonyl)prop-1-ene
CID 71392116
1-(Trifluoromethylsulfonyl)but-2-ene
CID 85984478
3,3,3-Trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene
CID 87320290
(E)-1-(trifluoromethylsulfonyl)but-2-ene
CID 88293949
Prop-2-enylsulfanyl trifluoromethanesulfonate
CID 88305751
3,3,3-trifluoro-1-[(E)-3,3,3-trifluoroprop-1-enyl]sulfonylprop-1-ene
CID 88429612
(3S)-3-(trifluoromethylsulfonyl)but-1-ene
CID 89775496

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-methylsulfonylprop-1-ene?
The IUPAC name of 3,3,3-trifluoro-1-methylsulfonylprop-1-ene (CID 162368554) is 3,3,3-trifluoro-1-methylsulfonylprop-1-ene.
What is the SMILES notation for 3,3,3-trifluoro-1-methylsulfonylprop-1-ene?
The canonical SMILES for 3,3,3-trifluoro-1-methylsulfonylprop-1-ene is CS(=O)(=O)C=CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-methylsulfonylprop-1-ene?
The InChIKey is TZXFQEXPZOPPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O2S/c1-10(8,9)3-2-4(5,6)7/h2-3H,1H3.
What are the key properties of 3,3,3-trifluoro-1-methylsulfonylprop-1-ene?
3,3,3-trifluoro-1-methylsulfonylprop-1-ene has a molecular weight of 174.14 g/mol, XLogP of 1.11, 1 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-methylsulfonylprop-1-ene is sourced from PubChem (CID 162368554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).