4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride

C6H6ClF7O2S — CID 58918806

IUPAC4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6ClF7O2S/c7-17(15,16)3-1-2-4(8,5(9,10)11)6(12,13)14/h1-3H2
InChIKeyLCIDIICRAKKUOM-UHFFFAOYSA-N
MW310.62 g/mol
LogP3.17
Rot. Bonds4

About 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride

4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride (PubChem CID 58918806) has the molecular formula C6H6ClF7O2S and a molecular weight of 310.62 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride
PubChem CID58918806
Molecular FormulaC6H6ClF7O2S
Molecular Weight310.62 g/mol
Exact Mass309.97
IUPAC Name4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6ClF7O2S/c7-17(15,16)3-1-2-4(8,5(9,10)11)6(12,13)14/h1-3H2
InChIKeyLCIDIICRAKKUOM-UHFFFAOYSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-3,3-difluoropropane-1-sulfonyl chloride
CID 154577329
4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide
CID 88943864
N,N-dimethyl-3-[[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]sulfonylamino]propan-1-amine oxide
CID 58901153
2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride
CID 159629889
1,1,1,2-tetrafluoro-2-(trifluoromethyl)nonane;uranium
CID 147368980
3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hexane-1-sulfonyl chloride;[3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hexyl] thiocyanate;molecular chlorine
CID 162206299
3-ethylsulfonylpropane-1-sulfonyl chloride
CID 65094375
1,1,1-trifluoro-4-(4,4,4-trifluorobutylsulfonyl)butane
CID 87090137
3-(3,3-dimethylbutoxy)propane-1-sulfonyl chloride
CID 66225754
carboxymethyl-dimethyl-[3-[[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]sulfonylamino]propyl]azanium
CID 58901169
7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776192
heptane-1-sulfonyl chloride
CID 10878141

Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride?
The IUPAC name of 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride (CID 58918806) is 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride.
What is the SMILES notation for 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride?
The canonical SMILES for 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride is O=S(=O)(Cl)CCCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride?
The InChIKey is LCIDIICRAKKUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF7O2S/c7-17(15,16)3-1-2-4(8,5(9,10)11)6(12,13)14/h1-3H2.
What are the key properties of 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride?
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride has a molecular weight of 310.62 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride is sourced from PubChem (CID 58918806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).