1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane

C8H10F8O2S — CID 87624625

IUPAC1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane
SMILESO=S(=O)(C(F)CCC(F)(F)F)C(F)CCC(F)(F)F
InChIInChI=1S/C8H10F8O2S/c9-5(1-3-7(11,12)13)19(17,18)6(10)2-4-8(14,15)16/h5-6H,1-4H2
InChIKeyUTDYLYBKDNGFPO-UHFFFAOYSA-N
MW322.22 g/mol
LogP3.68
Rot. Bonds6

About 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane

1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane (PubChem CID 87624625) has the molecular formula C8H10F8O2S and a molecular weight of 322.22 g/mol. Its IUPAC name is 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane.

Molecular Properties

Compound Name1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane
PubChem CID87624625
Molecular FormulaC8H10F8O2S
Molecular Weight322.22 g/mol
Exact Mass322.03
IUPAC Name1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane
SMILESO=S(=O)(C(F)CCC(F)(F)F)C(F)CCC(F)(F)F
InChIInChI=1S/C8H10F8O2S/c9-5(1-3-7(11,12)13)19(17,18)6(10)2-4-8(14,15)16/h5-6H,1-4H2
InChIKeyUTDYLYBKDNGFPO-UHFFFAOYSA-N
XLogP3.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane?
The IUPAC name of 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane (CID 87624625) is 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane.
What is the SMILES notation for 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane?
The canonical SMILES for 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane is O=S(=O)(C(F)CCC(F)(F)F)C(F)CCC(F)(F)F.
What is the InChIKey of 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane?
The InChIKey is UTDYLYBKDNGFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8O2S/c9-5(1-3-7(11,12)13)19(17,18)6(10)2-4-8(14,15)16/h5-6H,1-4H2.
What are the key properties of 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane?
1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane has a molecular weight of 322.22 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutylsulfonyl)butane is sourced from PubChem (CID 87624625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).