3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride

C5H10ClFO2S — CID 84661777

IUPAC3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride
SMILESCC(C)(CF)CS(=O)(=O)Cl
InChIInChI=1S/C5H10ClFO2S/c1-5(2,3-7)4-10(6,8)9/h3-4H2,1-2H3
InChIKeyZSXTXNRJONAKLB-UHFFFAOYSA-N
MW188.65 g/mol
LogP1.55
Rot. Bonds3

About 3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride

3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride (PubChem CID 84661777) has the molecular formula C5H10ClFO2S and a molecular weight of 188.65 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride
PubChem CID84661777
Molecular FormulaC5H10ClFO2S
Molecular Weight188.65 g/mol
Exact Mass188.01
IUPAC Name3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride
SMILESCC(C)(CF)CS(=O)(=O)Cl
InChIInChI=1S/C5H10ClFO2S/c1-5(2,3-7)4-10(6,8)9/h3-4H2,1-2H3
InChIKeyZSXTXNRJONAKLB-UHFFFAOYSA-N
XLogP1.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride?
The IUPAC name of 3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride (CID 84661777) is 3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride is CC(C)(CF)CS(=O)(=O)Cl.
What is the InChIKey of 3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride?
The InChIKey is ZSXTXNRJONAKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClFO2S/c1-5(2,3-7)4-10(6,8)9/h3-4H2,1-2H3.
What are the key properties of 3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride?
3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride has a molecular weight of 188.65 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride is sourced from PubChem (CID 84661777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).