1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene

C11H10F2O3S — CID 82369151

IUPAC1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene
SMILESC#CCS(=O)(=O)CCOc1ccc(F)c(F)c1
InChIInChI=1S/C11H10F2O3S/c1-2-6-17(14,15)7-5-16-9-3-4-10(12)11(13)8-9/h1,3-4,8H,5-7H2
InChIKeyJRZCRMINJWQWBE-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.39
Rot. Bonds5

About 1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene

1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene (PubChem CID 82369151) has the molecular formula C11H10F2O3S and a molecular weight of 260.26 g/mol. Its IUPAC name is 1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene
PubChem CID82369151
Molecular FormulaC11H10F2O3S
Molecular Weight260.26 g/mol
Exact Mass260.03
IUPAC Name1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene
SMILESC#CCS(=O)(=O)CCOc1ccc(F)c(F)c1
InChIInChI=1S/C11H10F2O3S/c1-2-6-17(14,15)7-5-16-9-3-4-10(12)11(13)8-9/h1,3-4,8H,5-7H2
InChIKeyJRZCRMINJWQWBE-UHFFFAOYSA-N
XLogP1.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-but-3-ynoxy-1,2-difluorobenzene
CID 63656648
1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene
CID 65202505
2-fluoro-4-(2-propylsulfonylethoxy)benzonitrile
CID 106735277
2-fluoro-4-(2-propylsulfonylethoxy)benzoic acid
CID 107675513
3-[4-(2-tert-butylsulfonylethoxy)-2-fluorophenyl]prop-2-yn-1-ol
CID 106728175
N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide
CID 113102513
2-[2-(4-methylphenoxy)ethylsulfonyl]acetonitrile
CID 82180986
N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518736
2-[3-(4-chlorophenoxy)propylsulfonyl]acetonitrile
CID 82180993
1-butoxy-4-prop-2-ynylsulfonylbenzene
CID 82368851
1-[4-(2-ethylsulfonylethoxy)-2-fluorophenyl]piperazine
CID 65202165
3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide
CID 65202554

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene?
The IUPAC name of 1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene (CID 82369151) is 1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene.
What is the SMILES notation for 1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene?
The canonical SMILES for 1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene is C#CCS(=O)(=O)CCOc1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene?
The InChIKey is JRZCRMINJWQWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3S/c1-2-6-17(14,15)7-5-16-9-3-4-10(12)11(13)8-9/h1,3-4,8H,5-7H2.
What are the key properties of 1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene?
1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene has a molecular weight of 260.26 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene is sourced from PubChem (CID 82369151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).