1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride

C4Cl3F7O2S — CID 131737844

IUPAC1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4Cl3F7O2S/c5-1(8,3(6,11)12)2(9,10)4(7,13)17(14,15)16
InChIKeyISLWBEQYKZTWJU-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.52
Rot. Bonds4

About 1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride

1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride (PubChem CID 131737844) has the molecular formula C4Cl3F7O2S and a molecular weight of 351.45 g/mol. Its IUPAC name is 1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride
PubChem CID131737844
Molecular FormulaC4Cl3F7O2S
Molecular Weight351.45 g/mol
Exact Mass349.86
IUPAC Name1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4Cl3F7O2S/c5-1(8,3(6,11)12)2(9,10)4(7,13)17(14,15)16
InChIKeyISLWBEQYKZTWJU-UHFFFAOYSA-N
XLogP3.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane
CID 98047490
1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane
CID 139890181
2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride
CID 11360103
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 2736851
lithium;hydride;bis(1,1,2,2-tetrafluoroethane-1,2-disulfonyl fluoride)
CID 173049005
1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane
CID 154298339
1-chloro-1,2,2,3,3,4,4,4-octafluorobutane-1-sulfonic acid
CID 87557611
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429
1-chloro-1,2,2,3,3,4,4,5,5,6,6,6-dodecafluorohexane-1-sulfonic acid
CID 138394286
1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane
CID 15921925
5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one
CID 154223636
4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene
CID 162539017

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride?
The IUPAC name of 1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride (CID 131737844) is 1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride.
What is the SMILES notation for 1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride?
The canonical SMILES for 1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride is O=S(=O)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride?
The InChIKey is ISLWBEQYKZTWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl3F7O2S/c5-1(8,3(6,11)12)2(9,10)4(7,13)17(14,15)16.
What are the key properties of 1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride?
1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride has a molecular weight of 351.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trichloro-1,2,2,3,4,4-hexafluorobutane-1-sulfonyl fluoride is sourced from PubChem (CID 131737844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).