1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane

C5H4F8O4S2 — CID 139244924

IUPAC1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane
SMILESO=S(=O)(C(CC(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8O4S2/c6-2(7)1-3(18(14,15)4(8,9)10)19(16,17)5(11,12)13/h2-3H,1H2
InChIKeyRDBUKHRJCIZJPZ-UHFFFAOYSA-N
MW344.20 g/mol
LogP1.84
Rot. Bonds4

About 1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane

1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane (PubChem CID 139244924) has the molecular formula C5H4F8O4S2 and a molecular weight of 344.20 g/mol. Its IUPAC name is 1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane.

Molecular Properties

Compound Name1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane
PubChem CID139244924
Molecular FormulaC5H4F8O4S2
Molecular Weight344.20 g/mol
Exact Mass343.94
IUPAC Name1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane
SMILESO=S(=O)(C(CC(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8O4S2/c6-2(7)1-3(18(14,15)4(8,9)10)19(16,17)5(11,12)13/h2-3H,1H2
InChIKeyRDBUKHRJCIZJPZ-UHFFFAOYSA-N
XLogP1.84
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane?
The IUPAC name of 1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane (CID 139244924) is 1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane.
What is the SMILES notation for 1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane?
The canonical SMILES for 1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane is O=S(=O)(C(CC(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane?
The InChIKey is RDBUKHRJCIZJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O4S2/c6-2(7)1-3(18(14,15)4(8,9)10)19(16,17)5(11,12)13/h2-3H,1H2.
What are the key properties of 1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane?
1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane has a molecular weight of 344.20 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3,3-bis(trifluoromethylsulfonyl)propane is sourced from PubChem (CID 139244924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).