2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride

C8H11ClF6O3S — CID 102723439

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride
SMILESCCC(COC(C(F)(F)F)C(F)(F)F)CS(=O)(=O)Cl
InChIInChI=1S/C8H11ClF6O3S/c1-2-5(4-19(9,16)17)3-18-6(7(10,11)12)8(13,14)15/h5-6H,2-4H2,1H3
InChIKeyZBEFVGNGLMPFCO-UHFFFAOYSA-N
MW336.68 g/mol
LogP3.09
Rot. Bonds6

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride (PubChem CID 102723439) has the molecular formula C8H11ClF6O3S and a molecular weight of 336.68 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride
PubChem CID102723439
Molecular FormulaC8H11ClF6O3S
Molecular Weight336.68 g/mol
Exact Mass336.00
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride
SMILESCCC(COC(C(F)(F)F)C(F)(F)F)CS(=O)(=O)Cl
InChIInChI=1S/C8H11ClF6O3S/c1-2-5(4-19(9,16)17)3-18-6(7(10,11)12)8(13,14)15/h5-6H,2-4H2,1H3
InChIKeyZBEFVGNGLMPFCO-UHFFFAOYSA-N
XLogP3.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride
CID 170915267
(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride
CID 98469102
2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride
CID 64999800
3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride
CID 105484134
3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride
CID 103311335
2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
CID 65013161
2-(oxan-4-yloxymethyl)butane-1-sulfonyl chloride
CID 64999420
2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
CID 103490993
butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride
CID 161480767
2-[(3-ethoxyphenoxy)methyl]butane-1-sulfonyl chloride
CID 64999162
3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride
CID 165492223
2-(2-ethylbutoxy)ethanesulfonyl chloride
CID 165490074

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride (CID 102723439) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride is CCC(COC(C(F)(F)F)C(F)(F)F)CS(=O)(=O)Cl.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride?
The InChIKey is ZBEFVGNGLMPFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF6O3S/c1-2-5(4-19(9,16)17)3-18-6(7(10,11)12)8(13,14)15/h5-6H,2-4H2,1H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride has a molecular weight of 336.68 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride is sourced from PubChem (CID 102723439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).