1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride

C6H5ClF2O2S — CID 139641079

IUPAC1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(F)C=CC=CC1F
InChIInChI=1S/C6H5ClF2O2S/c7-12(10,11)6(9)4-2-1-3-5(6)8/h1-5H
InChIKeyUHADRYOKJODLEF-UHFFFAOYSA-N
MW214.62 g/mol
LogP1.68
Rot. Bonds1

About 1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride

1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride (PubChem CID 139641079) has the molecular formula C6H5ClF2O2S and a molecular weight of 214.62 g/mol. Its IUPAC name is 1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride.

Molecular Properties

Compound Name1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride
PubChem CID139641079
Molecular FormulaC6H5ClF2O2S
Molecular Weight214.62 g/mol
Exact Mass213.97
IUPAC Name1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(F)C=CC=CC1F
InChIInChI=1S/C6H5ClF2O2S/c7-12(10,11)6(9)4-2-1-3-5(6)8/h1-5H
InChIKeyUHADRYOKJODLEF-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride?
The IUPAC name of 1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride (CID 139641079) is 1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride.
What is the SMILES notation for 1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride?
The canonical SMILES for 1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride is O=S(=O)(Cl)C1(F)C=CC=CC1F.
What is the InChIKey of 1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride?
The InChIKey is UHADRYOKJODLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2O2S/c7-12(10,11)6(9)4-2-1-3-5(6)8/h1-5H.
What are the key properties of 1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride?
1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride has a molecular weight of 214.62 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluorocyclohexa-2,4-diene-1-sulfonyl chloride is sourced from PubChem (CID 139641079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).