butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride

C9H14ClF7O2S — CID 161480767

IUPACbutane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride
SMILESCCCC.O=S(=O)(Cl)CC(C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4ClF7O2S.C4H10/c6-16(14,15)1-2(4(8,9)10)3(7)5(11,12)13;1-3-4-2/h2-3H,1H2;3-4H2,1-2H3
InChIKeyWEIAKOPQQZNCNE-UHFFFAOYSA-N
MW354.72 g/mol
LogP4.44
Rot. Bonds4

About butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride

butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride (PubChem CID 161480767) has the molecular formula C9H14ClF7O2S and a molecular weight of 354.72 g/mol. Its IUPAC name is butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride.

Molecular Properties

Compound Namebutane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride
PubChem CID161480767
Molecular FormulaC9H14ClF7O2S
Molecular Weight354.72 g/mol
Exact Mass354.03
IUPAC Namebutane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride
SMILESCCCC.O=S(=O)(Cl)CC(C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4ClF7O2S.C4H10/c6-16(14,15)1-2(4(8,9)10)3(7)5(11,12)13;1-3-4-2/h2-3H,1H2;3-4H2,1-2H3
InChIKeyWEIAKOPQQZNCNE-UHFFFAOYSA-N
XLogP4.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride
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3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride
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2,3,3-trimethylbutane-1-sulfonyl chloride
CID 83637644
butane;trichloro(fluoro)methane
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2-methoxypentane-1-sulfonyl chloride
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potassium 1,1,2-trifluoroheptane-1-sulfonate
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2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride
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CID 174463001

Frequently Asked Questions

What is the IUPAC name of butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride?
The IUPAC name of butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride (CID 161480767) is butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride.
What is the SMILES notation for butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride?
The canonical SMILES for butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride is CCCC.O=S(=O)(Cl)CC(C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride?
The InChIKey is WEIAKOPQQZNCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF7O2S.C4H10/c6-16(14,15)1-2(4(8,9)10)3(7)5(11,12)13;1-3-4-2/h2-3H,1H2;3-4H2,1-2H3.
What are the key properties of butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride?
butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride has a molecular weight of 354.72 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride is sourced from PubChem (CID 161480767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).