6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride

C8H6ClFO4S — CID 84707691

IUPAC6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(CF)cc2c1OCO2
InChIInChI=1S/C8H6ClFO4S/c9-15(11,12)7-2-5(3-10)1-6-8(7)14-4-13-6/h1-2H,3-4H2
InChIKeyRLNWULQFKFBOAM-UHFFFAOYSA-N
MW252.65 g/mol
LogP1.81
Rot. Bonds2

About 6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride

6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride (PubChem CID 84707691) has the molecular formula C8H6ClFO4S and a molecular weight of 252.65 g/mol. Its IUPAC name is 6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride.

Molecular Properties

Compound Name6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride
PubChem CID84707691
Molecular FormulaC8H6ClFO4S
Molecular Weight252.65 g/mol
Exact Mass251.97
IUPAC Name6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(CF)cc2c1OCO2
InChIInChI=1S/C8H6ClFO4S/c9-15(11,12)7-2-5(3-10)1-6-8(7)14-4-13-6/h1-2H,3-4H2
InChIKeyRLNWULQFKFBOAM-UHFFFAOYSA-N
XLogP1.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride
CID 83272082
6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride
CID 84712749
1-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethanone
CID 84666658
3-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]-2,2-dimethylpropanoic acid
CID 117388493
6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide
CID 83272130
N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine
CID 117288214
1,3-benzodioxole-4-sulfonyl chloride
CID 22500110
3-amino-1-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]propan-1-one
CID 117322864
6-(chloromethyl)-4-fluoro-1,3-benzodioxole
CID 59129325
6-(fluoromethyl)-4-(1-isocyanatocyclobutyl)-1,3-benzodioxole
CID 117375423
3-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]-1,2-oxazol-5-amine
CID 117344216
1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
CID 117419870

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride?
The IUPAC name of 6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride (CID 84707691) is 6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride.
What is the SMILES notation for 6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride?
The canonical SMILES for 6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride is O=S(=O)(Cl)c1cc(CF)cc2c1OCO2.
What is the InChIKey of 6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride?
The InChIKey is RLNWULQFKFBOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO4S/c9-15(11,12)7-2-5(3-10)1-6-8(7)14-4-13-6/h1-2H,3-4H2.
What are the key properties of 6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride?
6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride has a molecular weight of 252.65 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride is sourced from PubChem (CID 84707691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).