4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride

C7H8F2O2S — CID 150475144

IUPAC4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride
SMILESCC1(S(=O)(=O)F)C=CC(F)=CC1
InChIInChI=1S/C7H8F2O2S/c1-7(12(9,10)11)4-2-6(8)3-5-7/h2-4H,5H2,1H3
InChIKeyHSPZQZNIPHQBKA-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.86
Rot. Bonds1

About 4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride

4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride (PubChem CID 150475144) has the molecular formula C7H8F2O2S and a molecular weight of 194.20 g/mol. Its IUPAC name is 4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride
PubChem CID150475144
Molecular FormulaC7H8F2O2S
Molecular Weight194.20 g/mol
Exact Mass194.02
IUPAC Name4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride
SMILESCC1(S(=O)(=O)F)C=CC(F)=CC1
InChIInChI=1S/C7H8F2O2S/c1-7(12(9,10)11)4-2-6(8)3-5-7/h2-4H,5H2,1H3
InChIKeyHSPZQZNIPHQBKA-UHFFFAOYSA-N
XLogP1.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Toluenesulfonic acid
CID 46835679
1-Methylcyclohexa-2,4-diene-1-sulfonyl fluoride
CID 18625654
(3Z,5E)-5-(fluoromethylidene)-6-methylhepta-1,3-diene-2-sulfonate
CID 58734652
6-Fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide
CID 69295249
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
4-Fluoro-6-methylcyclohexa-2,4-diene-1-sulfinate
CID 89243418
5-Methyl-2-(trifluoromethylsulfonyl)cyclohexa-1,3-diene
CID 89965459
4-Fluoro-5-methylcyclohexa-1,3-diene-1-sulfonyl fluoride
CID 118233757
2,6-Difluorocyclohexa-1,3-diene-1-sulfonyl chloride
CID 123139507
1,6-Difluorocyclohexa-2,4-diene-1-sulfonyl chloride
CID 139641079
1,4-Difluorocyclohexa-2,4-diene-1-sulfonyl chloride
CID 139643842

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride?
The IUPAC name of 4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride (CID 150475144) is 4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride.
What is the SMILES notation for 4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride?
The canonical SMILES for 4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride is CC1(S(=O)(=O)F)C=CC(F)=CC1.
What is the InChIKey of 4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride?
The InChIKey is HSPZQZNIPHQBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O2S/c1-7(12(9,10)11)4-2-6(8)3-5-7/h2-4H,5H2,1H3.
What are the key properties of 4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride?
4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride has a molecular weight of 194.20 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonyl fluoride is sourced from PubChem (CID 150475144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).