3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride

C8H8ClFO4S2 — CID 146617588

IUPAC3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride
SMILESCC1(c2cc(F)c(S(=O)(=O)Cl)s2)OCCO1
InChIInChI=1S/C8H8ClFO4S2/c1-8(13-2-3-14-8)6-4-5(10)7(15-6)16(9,11)12/h4H,2-3H2,1H3
InChIKeyOHNCPUBIEQPSHN-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.03
Rot. Bonds2

About 3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride

3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride (PubChem CID 146617588) has the molecular formula C8H8ClFO4S2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride
PubChem CID146617588
Molecular FormulaC8H8ClFO4S2
Molecular Weight286.73 g/mol
Exact Mass285.95
IUPAC Name3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride
SMILESCC1(c2cc(F)c(S(=O)(=O)Cl)s2)OCCO1
InChIInChI=1S/C8H8ClFO4S2/c1-8(13-2-3-14-8)6-4-5(10)7(15-6)16(9,11)12/h4H,2-3H2,1H3
InChIKeyOHNCPUBIEQPSHN-UHFFFAOYSA-N
XLogP2.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride?
The IUPAC name of 3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride (CID 146617588) is 3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride is CC1(c2cc(F)c(S(=O)(=O)Cl)s2)OCCO1.
What is the InChIKey of 3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride?
The InChIKey is OHNCPUBIEQPSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO4S2/c1-8(13-2-3-14-8)6-4-5(10)7(15-6)16(9,11)12/h4H,2-3H2,1H3.
What are the key properties of 3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride?
3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride has a molecular weight of 286.73 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 146617588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).