2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene

C12H10F4O2S — CID 67573362

IUPAC2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene
SMILESO=S(=O)(C1=CCC(F)(F)C=C1)C1=CCC(F)(F)C=C1
InChIInChI=1S/C12H10F4O2S/c13-11(14)5-1-9(2-6-11)19(17,18)10-3-7-12(15,16)8-4-10/h1-5,7H,6,8H2
InChIKeyFHVJBFHAZXPQDU-UHFFFAOYSA-N
MW294.27 g/mol
LogP3.36
Rot. Bonds2

About 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene

2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene (PubChem CID 67573362) has the molecular formula C12H10F4O2S and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene
PubChem CID67573362
Molecular FormulaC12H10F4O2S
Molecular Weight294.27 g/mol
Exact Mass294.03
IUPAC Name2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene
SMILESO=S(=O)(C1=CCC(F)(F)C=C1)C1=CCC(F)(F)C=C1
InChIInChI=1S/C12H10F4O2S/c13-11(14)5-1-9(2-6-11)19(17,18)10-3-7-12(15,16)8-4-10/h1-5,7H,6,8H2
InChIKeyFHVJBFHAZXPQDU-UHFFFAOYSA-N
XLogP3.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene?
The IUPAC name of 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene (CID 67573362) is 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene?
The canonical SMILES for 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene is O=S(=O)(C1=CCC(F)(F)C=C1)C1=CCC(F)(F)C=C1.
What is the InChIKey of 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene?
The InChIKey is FHVJBFHAZXPQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4O2S/c13-11(14)5-1-9(2-6-11)19(17,18)10-3-7-12(15,16)8-4-10/h1-5,7H,6,8H2.
What are the key properties of 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene?
2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene has a molecular weight of 294.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 67573362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).