2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride

C6H5ClF2O2S — CID 123139507

IUPAC2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=C(F)C=CCC1F
InChIInChI=1S/C6H5ClF2O2S/c7-12(10,11)6-4(8)2-1-3-5(6)9/h1-2,5H,3H2
InChIKeyCHFVBBFGXWAVOF-UHFFFAOYSA-N
MW214.62 g/mol
LogP2.03
Rot. Bonds1

About 2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride

2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride (PubChem CID 123139507) has the molecular formula C6H5ClF2O2S and a molecular weight of 214.62 g/mol. Its IUPAC name is 2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride.

Molecular Properties

Compound Name2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride
PubChem CID123139507
Molecular FormulaC6H5ClF2O2S
Molecular Weight214.62 g/mol
Exact Mass213.97
IUPAC Name2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=C(F)C=CCC1F
InChIInChI=1S/C6H5ClF2O2S/c7-12(10,11)6-4(8)2-1-3-5(6)9/h1-2,5H,3H2
InChIKeyCHFVBBFGXWAVOF-UHFFFAOYSA-N
XLogP2.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.62
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexa-1,3-diene-1-sulfonyl chloride
CID 23194369
2-(Trifluoromethylsulfonyl)cyclohexa-1,3-diene
CID 10976761
1-Fluorocyclohexa-2,4-diene-1-sulfonamide
CID 67459447
4-Fluorocyclohexa-2,4-diene-1-sulfinate
CID 70301961
3-(Trifluoromethyl)cyclohexa-1,5-diene-1-sulfonyl chloride
CID 87084600
1,4,5-Trifluoro-6-methylcyclohexa-2,4-diene-1-sulfonyl chloride
CID 88329436
2,4-Difluorocyclohexa-1,5-diene-1-sulfonic acid
CID 88992426
2,4,5-Trifluorocyclohexa-1,5-diene-1-sulfonic acid
CID 89037647
2,3,4-Trifluorocyclohexa-1,5-diene-1-sulfonic acid
CID 89038049
4-Fluorocyclohexa-1,5-diene-1-sulfinate
CID 89057958
3,5-Difluorocyclohexa-1,5-diene-1-sulfonic acid
CID 89246870
2,4-Difluorocyclohexa-1,3-diene-1-sulfinate
CID 89640866

Frequently Asked Questions

What is the IUPAC name of 2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride?
The IUPAC name of 2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride (CID 123139507) is 2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride.
What is the SMILES notation for 2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride?
The canonical SMILES for 2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride is O=S(=O)(Cl)C1=C(F)C=CCC1F.
What is the InChIKey of 2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride?
The InChIKey is CHFVBBFGXWAVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2O2S/c7-12(10,11)6-4(8)2-1-3-5(6)9/h1-2,5H,3H2.
What are the key properties of 2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride?
2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride has a molecular weight of 214.62 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluorocyclohexa-1,3-diene-1-sulfonyl chloride is sourced from PubChem (CID 123139507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).