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

C7HF12O8S4- — CID 177479465

IUPAC1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene
SMILESO=S(=O)(C(=C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7HF12O8S4/c8-4(9,10)28(20,21)2(29(22,23)5(11,12)13)1-3(30(24,25)6(14,15)16)31(26,27)7(17,18)19/h1H/q-1
InChIKeyLTTMSSLWVIKHSY-UHFFFAOYSA-N
MW569.32 g/mol
LogP2.06
Rot. Bonds5

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

1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene (PubChem CID 177479465) has the molecular formula C7HF12O8S4- and a molecular weight of 569.32 g/mol. Its IUPAC name is 1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene
PubChem CID177479465
Molecular FormulaC7HF12O8S4-
Molecular Weight569.32 g/mol
Exact Mass568.84
IUPAC Name1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene
SMILESO=S(=O)(C(=C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7HF12O8S4/c8-4(9,10)28(20,21)2(29(22,23)5(11,12)13)1-3(30(24,25)6(14,15)16)31(26,27)7(17,18)19/h1H/q-1
InChIKeyLTTMSSLWVIKHSY-UHFFFAOYSA-N
XLogP2.06
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene?
The IUPAC name of 1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene (CID 177479465) is 1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene.
What is the SMILES notation for 1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene?
The canonical SMILES for 1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene is O=S(=O)(C(=C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene?
The InChIKey is LTTMSSLWVIKHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF12O8S4/c8-4(9,10)28(20,21)2(29(22,23)5(11,12)13)1-3(30(24,25)6(14,15)16)31(26,27)7(17,18)19/h1H/q-1.
What are the key properties of 1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene?
1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene has a molecular weight of 569.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrakis(trifluoromethylsulfonyl)prop-1-ene is sourced from PubChem (CID 177479465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).