1,3-bis(trifluoromethylsulfonyl)prop-1-ene

C5H4F6O4S2 — CID 174745593

IUPAC1,3-bis(trifluoromethylsulfonyl)prop-1-ene
SMILESO=S(=O)(C=CCS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F6O4S2/c6-4(7,8)16(12,13)2-1-3-17(14,15)5(9,10)11/h1-2H,3H2
InChIKeyOYQZWRKUWYARJO-UHFFFAOYSA-N
MW306.21 g/mol
LogP1.37
Rot. Bonds3

About 1,3-bis(trifluoromethylsulfonyl)prop-1-ene

1,3-bis(trifluoromethylsulfonyl)prop-1-ene (PubChem CID 174745593) has the molecular formula C5H4F6O4S2 and a molecular weight of 306.21 g/mol. Its IUPAC name is 1,3-bis(trifluoromethylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name1,3-bis(trifluoromethylsulfonyl)prop-1-ene
PubChem CID174745593
Molecular FormulaC5H4F6O4S2
Molecular Weight306.21 g/mol
Exact Mass305.95
IUPAC Name1,3-bis(trifluoromethylsulfonyl)prop-1-ene
SMILESO=S(=O)(C=CCS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F6O4S2/c6-4(7,8)16(12,13)2-1-3-17(14,15)5(9,10)11/h1-2H,3H2
InChIKeyOYQZWRKUWYARJO-UHFFFAOYSA-N
XLogP1.37
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trifluoromethylsulfonyl)prop-1-ene?
The IUPAC name of 1,3-bis(trifluoromethylsulfonyl)prop-1-ene (CID 174745593) is 1,3-bis(trifluoromethylsulfonyl)prop-1-ene.
What is the SMILES notation for 1,3-bis(trifluoromethylsulfonyl)prop-1-ene?
The canonical SMILES for 1,3-bis(trifluoromethylsulfonyl)prop-1-ene is O=S(=O)(C=CCS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,3-bis(trifluoromethylsulfonyl)prop-1-ene?
The InChIKey is OYQZWRKUWYARJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O4S2/c6-4(7,8)16(12,13)2-1-3-17(14,15)5(9,10)11/h1-2H,3H2.
What are the key properties of 1,3-bis(trifluoromethylsulfonyl)prop-1-ene?
1,3-bis(trifluoromethylsulfonyl)prop-1-ene has a molecular weight of 306.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trifluoromethylsulfonyl)prop-1-ene is sourced from PubChem (CID 174745593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).